 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer02_STD_LCPBE_augccpVDZ.in
 Output=26_junionone_conformer02_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-98314.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     98327.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=26_junionone_conformer02_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=030000000
 0,3/108=0300000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=300000000,108=300000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "26_junionone_conformer02_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.530099000000     -1.508264000000      1.055941000000
  C                                                 1.992159000000     -0.420719000000      0.101332000000
  C                                                 0.876932000000      0.415329000000     -0.653089000000
  C                                                -0.458897000000      0.388684000000     -0.019490000000
  C                                                -1.593028000000      0.006415000000     -0.609535000000
  C                                                -2.888593000000      0.009125000000      0.113412000000
  O                                                -2.988808000000      0.357087000000      1.273828000000
  C                                                 2.991586000000     -0.980627000000     -0.904352000000
  C                                                 2.495653000000      0.903435000000      0.738484000000
  C                                                 1.692114000000      1.700286000000     -0.311172000000
  C                                                -4.090420000000     -0.451292000000     -0.680206000000
  H                                                 3.575623000000      1.052608000000      0.763044000000
  H                                                 2.105043000000      1.042496000000      1.747169000000
  H                                                 0.794893000000      0.176326000000     -1.714627000000
  H                                                 1.113755000000      2.550616000000      0.047344000000
  H                                                 2.299691000000      2.026935000000     -1.153691000000
  H                                                 0.828612000000     -1.129461000000      1.799490000000
  H                                                 2.386498000000     -1.929915000000      1.588481000000
  H                                                 1.037863000000     -2.321547000000      0.516973000000
  H                                                 3.338078000000     -0.213622000000     -1.599830000000
  H                                                 2.542413000000     -1.786694000000     -1.489631000000
  H                                                 3.866547000000     -1.384606000000     -0.389083000000
  H                                                -0.531254000000      0.709327000000      1.016743000000
  H                                                -1.593669000000     -0.320419000000     -1.644436000000
  H                                                -3.932675000000     -1.470886000000     -1.042306000000
  H                                                -4.222470000000      0.181706000000     -1.561921000000
  H                                                -4.984113000000     -0.413788000000     -0.062287000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.519056   0.000000
     3  C    2.654736   1.584884   0.000000
     4  C    2.951452   2.584068   1.478715   0.000000
     5  C    3.849933   3.679856   2.503959   1.334367   0.000000
     6  C    4.766096   4.899658   3.864156   2.462753   1.483627
     7  O    4.893621   5.175883   4.319762   2.841500   2.370280
     8  C    2.501418   1.524386   2.546289   3.816258   4.698921
     9  C    2.617129   1.553336   2.189744   3.093357   4.397626
    10  C    3.491424   2.181479   1.559661   2.536183   3.708150
    11  C    5.976757   6.132659   5.042455   3.785507   2.539972
    12  H    3.290596   2.261839   3.113598   4.162992   5.449169
    13  H    2.704576   2.205112   2.768182   3.181563   4.505912
    14  H    3.324819   2.255574   1.091199   2.119098   2.636715
    15  H    4.202989   3.098926   2.259677   2.674257   3.772416
    16  H    4.239384   2.767791   2.207288   3.402953   4.419487
    17  H    1.090156   2.177131   2.898940   2.696504   3.599716
    18  H    1.093073   2.155177   3.578211   4.007212   4.941384
    19  H    1.092800   2.167161   2.980845   3.142202   3.689175
    20  H    3.463814   2.179068   2.710929   4.156593   5.034373
    21  H    2.753587   2.167909   2.884880   3.987662   4.592568
    22  H    2.749977   2.164004   3.499609   4.689416   5.638306
    23  H    3.027940   2.912489   2.204033   1.087118   2.065485
    24  H    4.296619   3.989477   2.761877   2.104990   1.085284
    25  H    5.852003   6.124901   5.180890   4.070785   2.800653
    26  H    6.542266   6.461497   5.185022   4.072642   2.802094
    27  H    6.699498   6.978194   5.948809   4.596017   3.460565
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.215601   0.000000
     8  C    6.049129   6.503773   0.000000
     9  C    5.493688   5.537545   2.548441   0.000000
    10  C    4.901344   5.121273   3.037727   1.543510   0.000000
    11  C    1.512019   2.384381   7.105297   6.871996   6.180872
    12  H    6.580043   6.620907   2.693576   1.090500   2.262970
    13  H    5.354757   5.161507   3.451021   1.090578   2.199992
    14  H    4.115550   4.824928   2.611617   3.072300   2.257686
    15  H    4.741554   4.811118   4.111162   2.258433   1.089079
    16  H    5.709238   6.053880   3.096178   2.209294   1.088893
    17  H    4.237552   4.130235   3.465742   2.835035   3.634281
    18  H    5.810533   5.850068   2.735232   2.960115   4.155624
    19  H    4.583879   4.895098   2.763198   3.546086   4.158005
    20  H    6.461907   6.972310   1.091807   2.724924   2.834234
    21  H    5.940584   6.544227   1.092727   3.493348   3.777672
    22  H    6.915700   7.265993   1.092821   2.895840   3.775022
    23  H    2.619797   2.495944   4.353958   3.045861   2.772855
    24  H    2.208044   3.304798   4.691286   4.888628   4.081325
    25  H    2.148540   3.097878   6.942966   7.080396   6.498395
    26  H    2.148430   3.097443   7.336622   7.137642   6.233198
    27  H    2.144978   2.522042   8.040034   7.636963   7.007372
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.944363   0.000000
    13  H    6.819627   1.769522   0.000000
    14  H    5.032913   3.826119   3.801418   0.000000
    15  H    6.051795   2.969352   2.479210   2.973797   0.000000
    16  H    6.870176   2.500238   3.069527   2.450269   1.767250
    17  H    5.550287   3.658103   2.519804   3.749031   4.085865
    18  H    7.020237   3.315239   2.989921   4.228473   4.906132
    19  H    5.588415   4.229149   3.737518   3.358339   4.895333
    20  H    7.488977   2.691271   3.781615   2.575467   3.911752
    21  H    6.814172   3.768780   4.321167   2.637783   4.818258
    22  H    8.016804   2.711466   3.682023   3.691698   4.822272
    23  H    4.110272   4.129000   2.755828   3.082716   2.652571
    24  H    2.679670   5.865385   5.200095   2.440678   4.293612
    25  H    1.093422   8.124152   7.110014   5.051259   6.544178
    26  H    1.093410   8.183776   7.192250   5.019689   6.056135
    27  H    1.087160   8.723564   7.459962   6.039484   6.781129
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.565982   0.000000
    18  H    4.814946   1.764160   0.000000
    19  H    4.826243   1.763436   1.766443   0.000000
    20  H    2.509459   4.323373   3.743861   3.770304   0.000000
    21  H    3.836083   3.766615   3.085384   2.564410   1.766290
    22  H    3.831224   3.752866   2.529559   3.114522   1.765330
    23  H    3.802778   2.417244   3.975646   3.449362   4.761304
    24  H    4.572653   4.287496   5.374380   3.949831   4.933105
    25  H    7.147695   5.555378   6.860298   5.278373   7.399689
    26  H    6.790442   6.207389   7.619871   6.185400   7.570971
    27  H    7.759001   6.145419   7.703868   6.343444   8.465398
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768110   0.000000
    23  H    4.686092   5.069670   0.000000
    24  H    4.391025   5.702838   3.044828   0.000000
    25  H    6.498200   7.827005   4.534609   2.675273   0.000000
    26  H    7.045812   8.322324   4.533538   2.677598   1.756429
    27  H    7.782723   8.909740   4.717377   3.742596   1.784213
                   26         27
    26  H    0.000000
    27  H    1.784269   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.11D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.530099   -1.508264    1.055941
      2          6           0        1.992159   -0.420719    0.101332
      3          6           0        0.876932    0.415329   -0.653089
      4          6           0       -0.458897    0.388684   -0.019490
      5          6           0       -1.593028    0.006415   -0.609535
      6          6           0       -2.888593    0.009125    0.113412
      7          8           0       -2.988808    0.357087    1.273828
      8          6           0        2.991586   -0.980627   -0.904352
      9          6           0        2.495653    0.903435    0.738484
     10          6           0        1.692114    1.700286   -0.311172
     11          6           0       -4.090420   -0.451292   -0.680206
     12          1           0        3.575623    1.052608    0.763044
     13          1           0        2.105043    1.042496    1.747169
     14          1           0        0.794893    0.176326   -1.714627
     15          1           0        1.113755    2.550616    0.047344
     16          1           0        2.299691    2.026935   -1.153691
     17          1           0        0.828612   -1.129461    1.799490
     18          1           0        2.386498   -1.929915    1.588481
     19          1           0        1.037863   -2.321547    0.516973
     20          1           0        3.338078   -0.213622   -1.599830
     21          1           0        2.542413   -1.786694   -1.489631
     22          1           0        3.866547   -1.384606   -0.389083
     23          1           0       -0.531254    0.709327    1.016743
     24          1           0       -1.593669   -0.320419   -1.644436
     25          1           0       -3.932675   -1.470886   -1.042306
     26          1           0       -4.222470    0.181706   -1.561921
     27          1           0       -4.984113   -0.413788   -0.062287
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2586681           0.5040654           0.4908743
 Leave Link  202 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  33 primitive shells out of 436 were deleted.
 There are   419 symmetry adapted cartesian basis functions of A   symmetry.
 There are   397 symmetry adapted basis functions of A   symmetry.
   397 basis functions,   709 primitive gaussians,   419 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       609.3387863805 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.300000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   397 RedAO= T EigKep=  2.87D-06  NBF=   397
 NBsUse=   397 1.00D-06 EigRej= -1.00D+00 NBFU=   397
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   419   419   419   419   419 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer02_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:22:10 2021, MaxMem=  5637144576 cpu:               4.0 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636786003 LenY=  5636610001
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -464.413038045133    
 DIIS: error= 2.65D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -464.413038045133     IErMin= 1 ErrMin= 2.65D-03
 ErrMax= 2.65D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.24D-02 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.65D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.345 Goal=   None    Shift=    0.000
 GapD=    0.345 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.75D-02 MaxDP=4.42D+00              OVMax= 2.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.18D-02    CP:  1.54D+00
 E= -464.424605145073     Delta-E=       -0.011567099940 Rises=F Damp=F
 DIIS: error= 8.99D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -464.424605145073     IErMin= 2 ErrMin= 8.99D-04
 ErrMax= 8.99D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.37D-03 BMatP= 1.24D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.99D-03
 Coeff-Com:  0.104D+00 0.896D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.103D+00 0.897D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=4.14D-03 MaxDP=6.99D-01 DE=-1.16D-02 OVMax= 1.58D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.19D-03    CP:  1.62D+00  1.14D+00
 E= -464.424519409374     Delta-E=        0.000085735698 Rises=F Damp=F
 DIIS: error= 1.07D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -464.424605145073     IErMin= 2 ErrMin= 8.99D-04
 ErrMax= 1.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-03 BMatP= 1.37D-03
 IDIUse=3 WtCom= 2.34D-01 WtEn= 7.66D-01
 Coeff-Com: -0.345D-01 0.546D+00 0.488D+00
 Coeff-En:   0.000D+00 0.518D+00 0.482D+00
 Coeff:     -0.808D-02 0.524D+00 0.484D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=8.17D-04 MaxDP=1.25D-01 DE= 8.57D-05 OVMax= 8.56D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.53D-04    CP:  1.64D+00  1.16D+00  1.06D+00
 E= -464.425793870266     Delta-E=       -0.001274460892 Rises=F Damp=F
 DIIS: error= 1.30D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -464.425793870266     IErMin= 4 ErrMin= 1.30D-04
 ErrMax= 1.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-05 BMatP= 1.37D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.30D-03
 Coeff-Com: -0.943D-02 0.315D-01 0.120D+00 0.858D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.942D-02 0.315D-01 0.120D+00 0.858D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=3.72D-04 MaxDP=5.84D-02 DE=-1.27D-03 OVMax= 1.44D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.07D-05    CP:  1.65D+00  1.18D+00  1.14D+00  1.15D+00
 E= -464.425818828953     Delta-E=       -0.000024958687 Rises=F Damp=F
 DIIS: error= 7.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -464.425818828953     IErMin= 5 ErrMin= 7.55D-05
 ErrMax= 7.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.97D-06 BMatP= 2.85D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.509D-04-0.635D-01-0.113D-01 0.398D+00 0.677D+00
 Coeff:      0.509D-04-0.635D-01-0.113D-01 0.398D+00 0.677D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=6.49D-05 MaxDP=7.39D-03 DE=-2.50D-05 OVMax= 6.66D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.28D-05    CP:  1.65D+00  1.18D+00  1.17D+00  1.21D+00  9.49D-01
 E= -464.425824319802     Delta-E=       -0.000005490848 Rises=F Damp=F
 DIIS: error= 1.02D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -464.425824319802     IErMin= 6 ErrMin= 1.02D-05
 ErrMax= 1.02D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-07 BMatP= 4.97D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.820D-03-0.246D-01-0.128D-01 0.712D-01 0.212D+00 0.754D+00
 Coeff:      0.820D-03-0.246D-01-0.128D-01 0.712D-01 0.212D+00 0.754D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.28D-05 MaxDP=1.18D-03 DE=-5.49D-06 OVMax= 3.43D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.00D-05    CP:  1.65D+00  1.18D+00  1.17D+00  1.22D+00  1.00D+00
                    CP:  1.02D+00
 E= -464.425824625049     Delta-E=       -0.000000305247 Rises=F Damp=F
 DIIS: error= 5.41D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -464.425824625049     IErMin= 7 ErrMin= 5.41D-06
 ErrMax= 5.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.87D-08 BMatP= 2.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.274D-03 0.536D-03-0.218D-02-0.282D-01-0.260D-01 0.277D+00
 Coeff-Com:  0.779D+00
 Coeff:      0.274D-03 0.536D-03-0.218D-02-0.282D-01-0.260D-01 0.277D+00
 Coeff:      0.779D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=7.42D-06 MaxDP=1.07D-03 DE=-3.05D-07 OVMax= 1.08D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.32D-06    CP:  1.65D+00  1.18D+00  1.17D+00  1.22D+00  1.02D+00
                    CP:  1.06D+00  1.05D+00
 E= -464.425824685542     Delta-E=       -0.000000060493 Rises=F Damp=F
 DIIS: error= 1.58D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -464.425824685542     IErMin= 8 ErrMin= 1.58D-06
 ErrMax= 1.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.45D-09 BMatP= 3.87D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.561D-04 0.285D-02 0.131D-02-0.133D-01-0.320D-01-0.226D-01
 Coeff-Com:  0.121D+00 0.942D+00
 Coeff:     -0.561D-04 0.285D-02 0.131D-02-0.133D-01-0.320D-01-0.226D-01
 Coeff:      0.121D+00 0.942D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.83D-06 MaxDP=3.51D-04 DE=-6.05D-08 OVMax= 7.03D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.14D-06    CP:  1.65D+00  1.18D+00  1.17D+00  1.22D+00  1.02D+00
                    CP:  1.07D+00  1.11D+00  1.12D+00
 E= -464.425824692849     Delta-E=       -0.000000007307 Rises=F Damp=F
 DIIS: error= 6.86D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -464.425824692849     IErMin= 9 ErrMin= 6.86D-07
 ErrMax= 6.86D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.13D-10 BMatP= 2.45D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.563D-04 0.104D-02 0.834D-03-0.193D-02-0.103D-01-0.399D-01
 Coeff-Com: -0.640D-01 0.382D+00 0.732D+00
 Coeff:     -0.563D-04 0.104D-02 0.834D-03-0.193D-02-0.103D-01-0.399D-01
 Coeff:     -0.640D-01 0.382D+00 0.732D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=5.95D-07 MaxDP=6.42D-05 DE=-7.31D-09 OVMax= 1.99D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.18D-07    CP:  1.65D+00  1.18D+00  1.17D+00  1.22D+00  1.02D+00
                    CP:  1.07D+00  1.11D+00  1.20D+00  1.01D+00
 E= -464.425824694003     Delta-E=       -0.000000001154 Rises=F Damp=F
 DIIS: error= 1.87D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -464.425824694003     IErMin=10 ErrMin= 1.87D-07
 ErrMax= 1.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.20D-11 BMatP= 7.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.739D-06-0.265D-03-0.352D-04 0.176D-02 0.303D-02 0.530D-03
 Coeff-Com: -0.352D-01-0.671D-01 0.831D-01 0.101D+01
 Coeff:     -0.739D-06-0.265D-03-0.352D-04 0.176D-02 0.303D-02 0.530D-03
 Coeff:     -0.352D-01-0.671D-01 0.831D-01 0.101D+01
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=5.13D-07 MaxDP=7.94D-05 DE=-1.15D-09 OVMax= 9.90D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.53D-07    CP:  1.65D+00  1.18D+00  1.17D+00  1.22D+00  1.02D+00
                    CP:  1.07D+00  1.10D+00  1.21D+00  1.08D+00  1.14D+00
 E= -464.425824694206     Delta-E=       -0.000000000203 Rises=F Damp=F
 DIIS: error= 6.11D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -464.425824694206     IErMin=11 ErrMin= 6.11D-08
 ErrMax= 6.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-12 BMatP= 4.20D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.470D-05-0.145D-03-0.701D-04 0.567D-03 0.140D-02 0.374D-02
 Coeff-Com: -0.489D-02-0.412D-01-0.419D-01 0.219D+00 0.863D+00
 Coeff:      0.470D-05-0.145D-03-0.701D-04 0.567D-03 0.140D-02 0.374D-02
 Coeff:     -0.489D-02-0.412D-01-0.419D-01 0.219D+00 0.863D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.08D-07 MaxDP=1.47D-05 DE=-2.03D-10 OVMax= 1.90D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.69D-08    CP:  1.65D+00  1.18D+00  1.17D+00  1.22D+00  1.02D+00
                    CP:  1.07D+00  1.10D+00  1.20D+00  1.08D+00  1.21D+00
                    CP:  1.20D+00
 E= -464.425824694193     Delta-E=        0.000000000013 Rises=F Damp=F
 DIIS: error= 1.53D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -464.425824694206     IErMin=12 ErrMin= 1.53D-08
 ErrMax= 1.53D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.06D-13 BMatP= 3.91D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.645D-06 0.117D-05-0.593D-05-0.700D-04-0.999D-04 0.777D-03
 Coeff-Com:  0.205D-02 0.102D-02-0.171D-01-0.622D-01 0.168D+00 0.907D+00
 Coeff:      0.645D-06 0.117D-05-0.593D-05-0.700D-04-0.999D-04 0.777D-03
 Coeff:      0.205D-02 0.102D-02-0.171D-01-0.622D-01 0.168D+00 0.907D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.84D-08 MaxDP=1.70D-06 DE= 1.27D-11 OVMax= 5.60D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.29D-08    CP:  1.65D+00  1.18D+00  1.17D+00  1.22D+00  1.02D+00
                    CP:  1.07D+00  1.10D+00  1.20D+00  1.08D+00  1.22D+00
                    CP:  1.30D+00  1.19D+00
 E= -464.425824694207     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 5.21D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -464.425824694207     IErMin=13 ErrMin= 5.21D-09
 ErrMax= 5.21D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.80D-14 BMatP= 4.06D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.242D-06 0.151D-04 0.562D-05-0.768D-04-0.183D-03-0.131D-03
 Coeff-Com:  0.966D-03 0.493D-02-0.111D-02-0.409D-01-0.453D-01 0.261D+00
 Coeff-Com:  0.821D+00
 Coeff:     -0.242D-06 0.151D-04 0.562D-05-0.768D-04-0.183D-03-0.131D-03
 Coeff:      0.966D-03 0.493D-02-0.111D-02-0.409D-01-0.453D-01 0.261D+00
 Coeff:      0.821D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.10D-08 MaxDP=1.59D-06 DE=-1.41D-11 OVMax= 1.40D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.89D-09    CP:  1.65D+00  1.18D+00  1.17D+00  1.22D+00  1.02D+00
                    CP:  1.07D+00  1.10D+00  1.20D+00  1.08D+00  1.23D+00
                    CP:  1.33D+00  1.26D+00  1.08D+00
 E= -464.425824694178     Delta-E=        0.000000000029 Rises=F Damp=F
 DIIS: error= 1.38D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=13 EnMin= -464.425824694207     IErMin=14 ErrMin= 1.38D-09
 ErrMax= 1.38D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.64D-15 BMatP= 4.80D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-06 0.376D-05 0.201D-05-0.152D-04-0.414D-04-0.805D-04
 Coeff-Com:  0.679D-04 0.123D-02 0.730D-03-0.554D-02-0.244D-01-0.441D-03
 Coeff-Com:  0.215D+00 0.814D+00
 Coeff:     -0.102D-06 0.376D-05 0.201D-05-0.152D-04-0.414D-04-0.805D-04
 Coeff:      0.679D-04 0.123D-02 0.730D-03-0.554D-02-0.244D-01-0.441D-03
 Coeff:      0.215D+00 0.814D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.34D-09 MaxDP=2.82D-07 DE= 2.93D-11 OVMax= 3.15D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -464.425824694     A.U. after   14 cycles
            NFock= 14  Conv=0.23D-08     -V/T= 2.0050
 KE= 4.620964955165D+02 PE=-2.299226991411D+03 EE= 7.633658848194D+02
 Leave Link  502 at Mon Aug 16 21:27:56 2021, MaxMem=  5637144576 cpu:            2762.6 elap:             346.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   397
 NBasis=   397 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    397 NOA=    42 NOB=    42 NVA=   355 NVB=   355

 **** Warning!!: The largest alpha MO coefficient is  0.83274465D+02

 Leave Link  801 at Mon Aug 16 21:27:57 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8355 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.49D-13 8.33D-09 XBig12= 1.00D+00 4.92D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.49D-13 8.33D-09 XBig12= 1.84D-01 5.92D-02.
     11 vectors produced by pass  2 Test12= 2.49D-13 8.33D-09 XBig12= 3.42D-02 1.09D-01.
     11 vectors produced by pass  3 Test12= 2.49D-13 8.33D-09 XBig12= 4.46D-03 1.92D-02.
     11 vectors produced by pass  4 Test12= 2.49D-13 8.33D-09 XBig12= 4.49D-04 3.92D-03.
     11 vectors produced by pass  5 Test12= 2.49D-13 8.33D-09 XBig12= 3.18D-05 9.39D-04.
     11 vectors produced by pass  6 Test12= 2.49D-13 8.33D-09 XBig12= 1.16D-06 2.44D-04.
     11 vectors produced by pass  7 Test12= 2.49D-13 8.33D-09 XBig12= 3.89D-08 3.10D-05.
     11 vectors produced by pass  8 Test12= 2.49D-13 8.33D-09 XBig12= 1.10D-09 4.75D-06.
     11 vectors produced by pass  9 Test12= 2.49D-13 8.33D-09 XBig12= 2.34D-11 7.16D-07.
     10 vectors produced by pass 10 Test12= 2.49D-13 8.33D-09 XBig12= 5.91D-13 1.16D-07.
      3 vectors produced by pass 11 Test12= 2.49D-13 8.33D-09 XBig12= 1.64D-14 1.68D-08.
      1 vectors produced by pass 12 Test12= 2.49D-13 8.33D-09 XBig12= 8.03D-15 9.84D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   124 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.173045D+03
      2  0.541562D+01  0.110584D+03
      3  0.305830D+01  0.309643D+01  0.114702D+03
 Isotropic polarizability for W=    0.085645      132.78 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.788169D+02 -0.268862D+02 -0.322967D+01
      2   0.680417D+02  0.405246D+01  0.100504D+02
      3   0.107752D+02  0.228338D+02 -0.682072D+01
      4  -0.403117D+02  0.961960D+02 -0.270281D+02
      5  -0.342386D+02 -0.293959D+02  0.621029D+01
      6  -0.123203D+02 -0.188940D+02 -0.129510D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.720720D+01 -0.861913D+01  0.565542D+01
      2   0.309258D+02 -0.944159D+01  0.452483D+01
      3   0.243022D+02 -0.411637D+02  0.147083D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.236781D+01 -0.289444D+02  0.357847D+02
      2   0.310089D+02 -0.147078D+02 -0.456492D+01
      3  -0.134255D+02 -0.281544D+02  0.170757D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.204141D+01 -0.531859D+01 -0.469451D+01
      2  -0.531859D+01  0.735906D-01  0.506981D+01
      3  -0.469451D+01  0.506981D+01 -0.405548D+01
 OR G Eigenvalues:    -7.6298    -4.1653     9.8546  Iso=     0.6468
 Eigenvectors:
   (1)   0.173872  -0.454801   0.873456
   (2)   0.720827   0.663095   0.201778
   (3)   0.670953  -0.594527  -0.443126
 w=    0.085645 a.u., Optical Rotation Beta=      0.6468 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      201.51 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   79003 ScalPx= 2.24D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.07D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.14D-14 2.78D-09 XBig12= 1.00D+00 4.70D-01.
     30 vectors produced by pass  1 Test12= 4.14D-14 2.78D-09 XBig12= 3.92D-02 4.18D-02.
     30 vectors produced by pass  2 Test12= 4.14D-14 2.78D-09 XBig12= 5.51D-03 2.31D-02.
     30 vectors produced by pass  3 Test12= 4.14D-14 2.78D-09 XBig12= 5.90D-05 1.58D-03.
     30 vectors produced by pass  4 Test12= 4.14D-14 2.78D-09 XBig12= 1.30D-06 1.25D-04.
     30 vectors produced by pass  5 Test12= 4.14D-14 2.78D-09 XBig12= 2.55D-08 1.29D-05.
     30 vectors produced by pass  6 Test12= 4.14D-14 2.78D-09 XBig12= 2.78D-10 1.84D-06.
     30 vectors produced by pass  7 Test12= 4.14D-14 2.78D-09 XBig12= 2.60D-12 1.53D-07.
     18 vectors produced by pass  8 Test12= 4.14D-14 2.78D-09 XBig12= 2.58D-14 1.35D-08.
      4 vectors produced by pass  9 Test12= 4.14D-14 2.78D-09 XBig12= 2.10D-15 4.44D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   262 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.35D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   79003 ScalPx= 4.35D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   79003 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.38D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173045D+03  0.541562D+01  0.305830D+01
      2   0.541562D+01  0.110584D+03  0.309643D+01
      3   0.305830D+01  0.309643D+01  0.114702D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.720720D+01 -0.861913D+01  0.565542D+01
      2   0.309258D+02 -0.944159D+01  0.452483D+01
      3   0.243022D+02 -0.411637D+02  0.147083D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.788169D+02 -0.268862D+02 -0.322967D+01
      2   0.680417D+02  0.405246D+01  0.100504D+02
      3   0.107752D+02  0.228338D+02 -0.682072D+01
      4  -0.403117D+02  0.961960D+02 -0.270281D+02
      5  -0.342386D+02 -0.293959D+02  0.621029D+01
      6  -0.123203D+02 -0.188940D+02 -0.129510D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.277963D+01  0.215113D+01 -0.377834D+01  0.162730D+01  0.346327D+00
      2   0.215113D+01  0.358629D+00  0.370244D+01  0.346327D+00  0.298184D+01
      3  -0.377834D+01  0.370244D+01  0.251554D+00  0.371168D+01  0.156850D+01
                 6             7             8             9            10 
      1   0.371168D+01 -0.427584D+01  0.378054D+01  0.318256D+00  0.202894D+02
      2   0.156850D+01  0.378054D+01  0.193210D+01  0.106641D+00 -0.347476D+01
      3  -0.579693D+00  0.318256D+00  0.106641D+00 -0.194067D+01  0.368057D+01
                11            12            13            14            15 
      1  -0.347476D+01  0.368057D+01 -0.783031D+01  0.223053D+01 -0.387714D+01
      2   0.529398D+00 -0.321424D+01  0.223053D+01 -0.414264D+01 -0.263509D+01
      3  -0.321424D+01 -0.636783D+00 -0.387714D+01 -0.263509D+01 -0.310910D+00
                16            17            18            19            20 
      1   0.154237D+02 -0.433215D+01  0.273584D+00 -0.422235D+02 -0.676294D+00
      2  -0.433215D+01 -0.237753D+01 -0.165925D+00 -0.676294D+00 -0.402231D+01
      3   0.273584D+00 -0.165925D+00  0.814037D+00 -0.169867D+01  0.101429D+01
                21            22            23            24            25 
      1  -0.169867D+01  0.464720D+01 -0.879943D+01  0.204951D+01 -0.528202D+01
      2   0.101429D+01 -0.879943D+01 -0.112712D+01 -0.809012D+00  0.190274D+01
      3   0.226187D-01  0.204951D+01 -0.809012D+00  0.219198D+01  0.349016D+00
                26            27            28            29            30 
      1   0.190274D+01  0.349016D+00  0.633693D+02  0.378448D+01  0.501396D+00
      2  -0.114470D+01  0.219014D+01  0.378448D+01  0.319741D+01 -0.635611D+00
      3   0.219014D+01  0.456610D+01  0.501396D+00 -0.635611D+00  0.151463D+01
                31            32            33            34            35 
      1   0.107330D+02  0.680061D+01 -0.185760D+01  0.800859D+01 -0.727986D+00
      2   0.680061D+01  0.285221D+01 -0.153081D+00 -0.727986D+00  0.914346D+00
      3  -0.185760D+01 -0.153081D+00 -0.122083D+01  0.169531D+01 -0.160898D+01
                36            37            38            39            40 
      1   0.169531D+01 -0.571280D+02 -0.337581D+01  0.286077D+01 -0.119437D+02
      2  -0.160898D+01 -0.337581D+01 -0.187062D+01  0.854650D+00 -0.476748D+01
      3  -0.323445D+01  0.286077D+01  0.854650D+00 -0.113520D+01  0.139692D+01
                41            42            43            44            45 
      1  -0.476748D+01  0.139692D+01 -0.109085D+02 -0.477880D+00 -0.370974D+01
      2  -0.222730D+01 -0.738087D+00 -0.477880D+00 -0.160755D+01  0.167182D+01
      3  -0.738087D+00  0.185442D+01 -0.370974D+01  0.167182D+01  0.269458D+01
                46            47            48            49            50 
      1   0.183251D+02  0.108540D+01 -0.314209D+01 -0.453285D+01 -0.753890D+00
      2   0.108540D+01 -0.964562D+00  0.816800D-01 -0.753890D+00 -0.576930D+00
      3  -0.314209D+01  0.816800D-01 -0.687069D+00  0.264625D+01 -0.814715D+00
                51            52            53            54            55 
      1   0.264625D+01 -0.248748D+02  0.640028D+00  0.820862D+01 -0.469801D+01
      2  -0.814715D+00  0.640028D+00  0.345925D+00 -0.933579D+00  0.553418D+00
      3  -0.156786D+01  0.820862D+01 -0.933579D+00 -0.595353D+01  0.247716D+01
                56            57            58            59            60 
      1   0.553418D+00  0.247716D+01  0.753572D+01 -0.172768D+01 -0.263074D+01
      2  -0.277791D+00 -0.492548D+00 -0.172768D+01  0.181080D+01  0.293564D+01
      3  -0.492548D+00 -0.105620D+01 -0.263074D+01  0.293564D+01  0.153855D+01
                61            62            63            64            65 
      1   0.246525D+02 -0.199434D+00 -0.949132D+01 -0.751511D+01  0.221486D+01
      2  -0.199434D+00  0.138444D+01  0.123510D+01  0.221486D+01 -0.147140D+00
      3  -0.949132D+01  0.123510D+01  0.109947D+02 -0.248802D+01  0.384002D+01
                66            67            68            69            70 
      1  -0.248802D+01  0.269561D+01 -0.108167D+01  0.373919D+01 -0.655915D+01
      2   0.384002D+01 -0.108167D+01  0.183776D+01  0.352187D+01  0.391075D+01
      3   0.797516D+00  0.373919D+01  0.352187D+01 -0.765725D+00 -0.234471D+00
                71            72            73            74            75 
      1   0.391075D+01 -0.234471D+00 -0.647634D+01 -0.156260D+01 -0.153622D+01
      2   0.330365D+01 -0.168790D+00 -0.156260D+01  0.177261D+01 -0.417564D+00
      3  -0.168790D+00  0.153243D+01 -0.153622D+01 -0.417564D+00  0.243018D+01
                76            77            78            79            80 
      1  -0.178937D+01  0.248083D+01 -0.672053D+00  0.299775D+00 -0.179201D+00
      2   0.248083D+01  0.470962D+01  0.299093D+01 -0.179201D+00  0.262977D+01
      3  -0.672053D+00  0.299093D+01 -0.897564D+00  0.215492D+01 -0.162727D+01
                81            82            83            84            85 
      1   0.215492D+01  0.663125D+01  0.243665D+01  0.793844D+00  0.502613D+01
      2  -0.162727D+01  0.243665D+01  0.387522D+01  0.296384D+01  0.551687D+01
      3  -0.342624D+01  0.793844D+00  0.296384D+01 -0.269216D+01  0.218478D+01
                86            87            88            89            90 
      1   0.551687D+01  0.218478D+01  0.790735D+01  0.523550D+01 -0.324098D+01
      2  -0.194965D+01 -0.381335D-01  0.523550D+01 -0.383229D-01 -0.404417D+00
      3  -0.381335D-01 -0.173267D-01 -0.324098D+01 -0.404417D+00  0.770859D+00
                91            92            93            94            95 
      1   0.140067D+01 -0.130437D+01 -0.435671D+01 -0.239923D+01  0.441332D+00
      2  -0.130437D+01 -0.859786D+00 -0.101908D+01  0.441332D+00  0.385028D+01
      3  -0.435671D+01 -0.101908D+01  0.129188D+01 -0.907210D+00  0.350378D+01
                96            97            98            99           100 
      1  -0.907210D+00 -0.724076D+01 -0.957101D+00  0.353349D+01  0.112067D+02
      2   0.350378D+01 -0.957101D+00  0.295075D+01 -0.940178D+00  0.226080D+01
      3  -0.140343D+01  0.353349D+01 -0.940178D+00  0.387849D+01  0.235092D+01
               101           102           103           104           105 
      1   0.226080D+01  0.235092D+01  0.102587D+01  0.140983D+01  0.255954D+00
      2   0.195746D+01  0.575101D+00  0.140983D+01  0.585909D+00  0.151990D+00
      3   0.575101D+00  0.155058D+01  0.255954D+00  0.151990D+00  0.263899D+00
               106           107           108           109           110 
      1   0.418047D+00  0.176832D+00  0.109469D+01 -0.201341D+00  0.407879D+00
      2   0.176832D+00 -0.191726D+00  0.497214D+00  0.407879D+00 -0.909356D+00
      3   0.109469D+01  0.497214D+00  0.106065D+01  0.911294D+00 -0.268494D+00
               111           112           113           114           115 
      1   0.911294D+00  0.204660D+00 -0.130813D+00  0.836199D-01  0.118716D+01
      2  -0.268494D+00 -0.130813D+00  0.438813D+00  0.763948D+00  0.109439D+00
      3  -0.193987D+01  0.836199D-01  0.763948D+00  0.920191D+00  0.846330D-01
               116           117           118           119           120 
      1   0.109439D+00  0.846330D-01 -0.435375D+00 -0.381308D+00 -0.764837D+00
      2   0.178182D+01  0.163209D+01 -0.381308D+00  0.249304D+00 -0.110186D+00
      3   0.163209D+01  0.781136D+01 -0.764837D+00 -0.110186D+00 -0.360776D+00
               121           122           123           124           125 
      1  -0.185760D+01  0.388723D+00 -0.225152D-01 -0.151873D+01  0.884495D-02
      2   0.388723D+00 -0.512886D+00 -0.103728D+01  0.884495D-02 -0.127593D+01
      3  -0.225152D-01 -0.103728D+01 -0.131851D+01  0.117865D+00 -0.756493D+00
               126           127           128           129           130 
      1   0.117865D+00 -0.196285D+01  0.147299D+01  0.400879D-01  0.329913D+00
      2  -0.756493D+00  0.147299D+01 -0.402713D+01 -0.554845D+00 -0.160834D+01
      3  -0.721269D+01  0.400879D-01 -0.554845D+00 -0.361543D+00 -0.371994D+00
               131           132           133           134           135 
      1  -0.160834D+01 -0.371994D+00  0.284324D+00 -0.690411D+00  0.189425D+00
      2   0.807546D+01  0.634001D+00 -0.690411D+00  0.214559D+01  0.131455D+01
      3   0.634001D+00  0.103346D+01  0.189425D+00  0.131455D+01  0.561812D+00
               136           137           138           139           140 
      1   0.279169D+01  0.153009D+01 -0.176103D+01 -0.620584D-01  0.109754D+01
      2   0.153009D+01  0.170893D+01 -0.143619D+01  0.109754D+01  0.262863D+01
      3  -0.176103D+01 -0.143619D+01  0.226557D+01 -0.104679D+01 -0.155272D+01
               141           142           143           144           145 
      1  -0.104679D+01 -0.454015D+01 -0.246806D+01  0.264750D+01 -0.309529D+01
      2  -0.155272D+01 -0.246806D+01 -0.300850D+01  0.245142D+01  0.430078D+00
      3   0.139430D+01  0.264750D+01  0.245142D+01 -0.428947D+01  0.177569D+01
               146           147           148           149           150 
      1   0.430078D+00  0.177569D+01  0.145215D+01 -0.839611D+00 -0.554260D+00
      2  -0.114512D+01 -0.142127D+00 -0.839611D+00  0.607403D+00  0.224103D+00
      3  -0.142127D+00 -0.245033D+01 -0.554260D+00  0.224103D+00  0.128451D+01
               151           152           153           154           155 
      1   0.183140D+01 -0.503099D+00 -0.184757D+01  0.546796D+01 -0.272226D+01
      2  -0.503099D+00  0.862677D+00 -0.393606D-01 -0.272226D+01  0.294634D+01
      3  -0.184757D+01 -0.393606D-01  0.429161D+01  0.288701D+01 -0.213352D+01
               156           157           158           159           160 
      1   0.288701D+01 -0.160528D+01  0.177916D+01 -0.133272D+01  0.203146D+01
      2  -0.213352D+01  0.177916D+01 -0.281784D+01  0.142417D+01 -0.163009D+01
      3   0.284667D+01 -0.133272D+01  0.142417D+01 -0.129193D+01  0.201412D+01
               161           162           163           164           165 
      1  -0.163009D+01  0.201412D+01 -0.133103D+01 -0.151316D+01 -0.285139D-01
      2   0.149237D+01 -0.180953D+01 -0.151316D+01 -0.248610D+01 -0.569767D+00
      3  -0.180953D+01  0.312608D+01 -0.285139D-01 -0.569767D+00 -0.701577D+00
               166           167           168           169           170 
      1  -0.137140D+01 -0.135443D+01 -0.535966D+00 -0.606828D+00 -0.812256D+00
      2  -0.135443D+01 -0.630078D+01 -0.744268D+00 -0.812256D+00 -0.291177D+01
      3  -0.535966D+00 -0.744268D+00 -0.126814D+01 -0.423446D+00 -0.992692D+00
               171           172           173           174           175 
      1  -0.423446D+00  0.273155D+01  0.724468D+00 -0.123492D+01  0.218373D+01
      2  -0.992692D+00  0.724468D+00  0.778299D+00 -0.980189D+00  0.900852D+00
      3  -0.106719D+01 -0.123492D+01 -0.980189D+00  0.134187D+01 -0.187192D+01
               176           177           178           179           180 
      1   0.900852D+00 -0.187192D+01 -0.165458D+01 -0.105559D+01  0.208355D+01
      2   0.252680D+01 -0.174214D+01 -0.105559D+01 -0.191952D+01  0.143187D+01
      3  -0.174214D+01  0.264643D+01  0.208355D+01  0.143187D+01 -0.403404D+01
               181           182           183           184           185 
      1  -0.376400D+00 -0.718954D+00 -0.185302D+00 -0.148631D+01  0.283972D+00
      2  -0.718954D+00 -0.186086D+01 -0.134555D+01  0.283972D+00 -0.513430D+01
      3  -0.185302D+00 -0.134555D+01 -0.149060D+01 -0.113015D+00 -0.288479D+01
               186           187           188           189           190 
      1  -0.113015D+00 -0.401513D+00 -0.274333D+00  0.151209D+00  0.858725D+01
      2  -0.288479D+01 -0.274333D+00 -0.279905D+01 -0.223174D+01 -0.313966D+01
      3  -0.245503D+01  0.151209D+00 -0.223174D+01 -0.316510D+01  0.111076D+01
               191           192           193           194           195 
      1  -0.313966D+01  0.111076D+01 -0.280441D+01  0.234331D+01 -0.618454D+00
      2   0.207605D+01 -0.681620D+00  0.234331D+01 -0.210961D+01  0.386334D-01
      3  -0.681620D+00  0.133140D+01 -0.618454D+00  0.386334D-01 -0.572397D+00
               196           197           198           199           200 
      1   0.499812D+01 -0.178534D+01  0.129564D+01  0.128083D+01  0.512754D+00
      2  -0.178534D+01  0.108575D+01 -0.593559D+00  0.512754D+00 -0.437448D-02
      3   0.129564D+01 -0.593559D+00  0.118155D+01  0.789061D+00 -0.506429D-02
               201           202           203           204           205 
      1   0.789061D+00  0.153312D+01 -0.910134D+00  0.275631D+00  0.238704D+01
      2  -0.506429D-02 -0.910134D+00  0.726116D+00  0.107025D+01  0.567168D+00
      3  -0.769207D-01  0.275631D+00  0.107025D+01  0.115969D+01  0.508830D+00
               206           207           208           209           210 
      1   0.567168D+00  0.508830D+00 -0.154243D+01 -0.614663D+00 -0.116689D+01
      2   0.147412D+01  0.112005D+01 -0.614663D+00 -0.588113D-01 -0.772685D-01
      3   0.112005D+01  0.454691D+01 -0.116689D+01 -0.772685D-01  0.193073D+00
               211           212           213           214           215 
      1  -0.101111D+01  0.222796D+00 -0.706423D+00 -0.210555D+01 -0.548727D+00
      2   0.222796D+00 -0.604175D+00 -0.898817D+00 -0.548727D+00 -0.130468D+01
      3  -0.706423D+00 -0.898817D+00 -0.171995D+01 -0.100353D+01 -0.154467D+01
               216           217           218           219           220 
      1  -0.100353D+01 -0.866936D+00 -0.534084D+00  0.368733D+00 -0.338505D+01
      2  -0.154467D+01 -0.534084D+00  0.594162D+00  0.386121D+00 -0.195364D+01
      3  -0.651468D+01  0.368733D+00  0.386121D+00  0.261518D+00 -0.816283D+00
               221           222           223           224           225 
      1  -0.195364D+01 -0.816283D+00 -0.119469D+01 -0.468160D+00 -0.143499D+01
      2  -0.734794D+01 -0.267066D+01 -0.468160D+00 -0.214276D+01 -0.152938D+01
      3  -0.267066D+01 -0.205940D+01 -0.143499D+01 -0.152938D+01 -0.232841D+01
               226           227           228           229           230 
      1  -0.247246D+01  0.743799D+00 -0.546093D+00  0.256181D+01 -0.119044D+01
      2   0.743799D+00 -0.283862D+00  0.497898D+00 -0.119044D+01  0.156949D+01
      3  -0.546093D+00  0.497898D+00 -0.793461D+00  0.147841D+01 -0.219119D+01
               231           232           233           234           235 
      1   0.147841D+01 -0.352797D+01  0.343750D+00 -0.324770D+01 -0.897719D+01
      2  -0.219119D+01  0.343750D+00 -0.227739D+01  0.167093D+01 -0.290864D+00
      3   0.293060D+01 -0.324770D+01  0.167093D+01 -0.630740D+01  0.214034D+01
               236           237           238           239           240 
      1  -0.290864D+00  0.214034D+01  0.522390D+00 -0.112512D+01  0.113146D+00
      2  -0.112600D+01  0.167828D+00 -0.112512D+01 -0.349988D+00  0.821654D-01
      3   0.167828D+00 -0.171656D+01  0.113146D+00  0.821654D-01  0.230666D+00
               241           242           243 
      1   0.526163D+01  0.434231D+00 -0.208691D+01
      2   0.434231D+00  0.696123D+00  0.247228D-01
      3  -0.208691D+01  0.247228D-01  0.164269D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524319D+01  0.877033D+01  0.632466D+01  0.821305D+01  0.884880D+01
      2  -0.698407D+01  0.174316D+01  0.757624D+01  0.588544D+01  0.144302D+01
      3  -0.313724D+01 -0.870042D+01  0.176875D+01 -0.696810D+00 -0.565983D+01
                 6             7             8             9            10 
      1  -0.101095D+01  0.633023D+01  0.557682D+01 -0.472826D+01  0.575210D+01
      2  -0.586428D+01  0.332160D+01 -0.581199D+01 -0.388765D+01  0.181241D+02
      3  -0.981190D+01  0.599579D+00 -0.114828D+02 -0.113781D+01  0.992134D+01
                11            12            13            14            15 
      1  -0.508271D+01 -0.366723D+00 -0.825572D+01 -0.497083D+01 -0.513792D+01
      2  -0.840413D+01  0.244717D+01 -0.122572D+02 -0.378878D+01 -0.113378D+01
      3  -0.280570D+01  0.698740D+01  0.627525D+01  0.101986D+02  0.999828D+01
                16            17            18            19            20 
      1   0.427380D+01  0.352885D+01 -0.579459D+00 -0.447567D+00  0.323511D+01
      2   0.363886D+01 -0.254668D+00  0.261799D+01 -0.297015D+02 -0.106802D+01
      3   0.990970D+01  0.103209D+02  0.642074D+00 -0.183655D+02 -0.441942D+01
                21            22            23            24            25 
      1  -0.119617D+01  0.132388D+02  0.383317D+01 -0.166465D+01 -0.492864D+01
      2   0.181490D+01  0.169581D+01 -0.649215D+01  0.354549D+01 -0.142967D+02
      3  -0.215743D+01  0.353824D+01 -0.716822D+01  0.268936D+01 -0.351484D+01
                26            27            28            29            30 
      1   0.463171D+01 -0.360508D+01 -0.497044D+01  0.274091D+00  0.834917D-01
      2   0.218300D+01  0.188930D+01  0.395025D+02  0.458413D+01 -0.393782D+01
      3   0.531919D+00 -0.943834D+00  0.188038D+02  0.881990D+01 -0.124267D+01
                31            32            33            34            35 
      1  -0.320153D+01 -0.261349D+01 -0.270576D+01  0.193787D+01 -0.356588D+00
      2   0.119903D+02  0.334275D+01 -0.105587D+01 -0.137174D+02 -0.117663D+01
      3   0.350158D+02  0.724606D+01  0.395125D+00 -0.172422D+01 -0.624048D+00
                36            37            38            39            40 
      1   0.324217D+01  0.352262D+01  0.101511D+01 -0.723088D+00  0.770661D+01
      2   0.145063D+01 -0.453075D+02 -0.379568D+01  0.128434D+02 -0.128882D+02
      3  -0.305353D+00 -0.155122D+02 -0.115367D+02  0.158331D+01 -0.938609D+01
                41            42            43            44            45 
      1   0.757014D+00 -0.486989D+01  0.187431D+01 -0.477939D-01  0.819640D+00
      2  -0.253688D+01 -0.120723D+01 -0.136615D+02 -0.347999D+01 -0.613252D+01
      3  -0.581107D+01 -0.110019D+01  0.214516D+00  0.555460D+00  0.932592D+00
                46            47            48            49            50 
      1  -0.113502D+00 -0.224703D+01  0.245448D+01  0.560313D+01 -0.370193D+01
      2   0.118063D+02  0.287297D+01 -0.447799D+01 -0.460783D+01  0.217996D+01
      3   0.662208D+00  0.123277D+02 -0.434270D+01  0.235092D+02  0.173986D+01
                51            52            53            54            55 
      1  -0.725659D+01  0.228696D+01 -0.379297D+01  0.223872D+01 -0.125840D+01
      2   0.610419D+01 -0.473760D+02  0.337302D+00  0.279427D+02 -0.195894D+01
      3  -0.171216D+01 -0.598012D+01 -0.891294D+01 -0.138738D+01  0.284190D+00
                56            57            58            59            60 
      1   0.682382D+00 -0.578327D+00  0.448131D-01  0.261105D+01 -0.160862D+01
      2   0.153816D+01  0.755520D+01  0.814755D+01 -0.856074D+01 -0.780786D+01
      3  -0.698239D+01 -0.489312D+00 -0.585004D+01  0.583600D+01  0.780399D+01
                61            62            63            64            65 
      1  -0.136150D+01  0.875736D+01 -0.356631D+00 -0.505056D+01  0.543371D+01
      2   0.280908D+02 -0.380042D+01 -0.438257D+02 -0.147270D+02  0.153469D+02
      3   0.489926D+01  0.124686D+02  0.269402D+01 -0.155813D+01 -0.403486D+01
                66            67            68            69            70 
      1  -0.476778D+01  0.759379D+01  0.272202D+01 -0.753700D+01 -0.753089D+01
      2   0.157890D+01  0.146909D+02  0.115920D+02  0.228214D+01 -0.100570D+02
      3  -0.106500D+02  0.558703D+01 -0.601228D+01 -0.176788D+02 -0.115391D+02
                71            72            73            74            75 
      1  -0.178213D+01  0.357437D+01 -0.155308D+01  0.520884D+01 -0.468200D+01
      2   0.483951D+01  0.680280D+01  0.746077D+01  0.203998D+01  0.120783D+02
      3  -0.165106D+02  0.106083D+01 -0.181206D+01 -0.120486D+02  0.526686D+00
                76            77            78            79            80 
      1   0.193605D+01  0.104525D+01  0.425904D+01 -0.387318D+01  0.878301D+01
      2   0.568068D+00  0.571094D+01 -0.302620D+01  0.439530D+01 -0.524038D+01
      3  -0.554023D+01 -0.106088D+02 -0.111355D+02  0.194269D+01 -0.100312D+02
                81            82            83            84            85 
      1   0.175210D+01 -0.355358D+01 -0.121402D+02  0.695219D+01 -0.141702D+02
      2  -0.138328D+02  0.729135D+01  0.652447D+01 -0.253312D+01  0.774059D+01
      3   0.867969D+01  0.202315D+01 -0.693769D+01 -0.505324D+01  0.589447D+01
                86            87            88            89            90 
      1   0.101502D+01 -0.323861D+01  0.467629D+01  0.280099D+01 -0.867322D+00
      2   0.424247D+01  0.177517D+01 -0.268451D+01  0.251597D+01 -0.117903D+01
      3   0.143500D+02  0.663329D+01 -0.295998D-01  0.122770D+02 -0.800737D+01
                91            92            93            94            95 
      1  -0.337330D+00  0.219964D+01  0.121018D+01 -0.612752D+01 -0.262369D+01
      2   0.178117D+02  0.261836D+01 -0.511304D+01  0.289449D+01 -0.151868D+02
      3  -0.656651D+01 -0.100955D+02 -0.242232D+01  0.131047D+02  0.183936D+02
                96            97            98            99           100 
      1  -0.826371D+01  0.466532D+01 -0.102410D+01  0.363514D+01 -0.829546D+00
      2   0.693747D+01 -0.243749D+02  0.300852D+01 -0.137622D+02 -0.475208D+01
      3   0.201122D+02 -0.391520D+01  0.116182D+02 -0.672109D+01  0.659133D+01
               101           102           103           104           105 
      1   0.210206D+01 -0.182448D+01  0.297049D+00  0.129913D+00 -0.136619D+01
      2  -0.179007D+00  0.553546D+01 -0.641022D+00 -0.794720D+00  0.728303D+00
      3  -0.699238D+01  0.832658D+00 -0.387538D+00 -0.133129D+00  0.588825D+00
               106           107           108           109           110 
      1  -0.893459D+00  0.109008D+00 -0.673076D+00 -0.682364D+00 -0.193965D+01
      2   0.112233D+01  0.983784D+00  0.231827D+01  0.406708D+01 -0.108588D+01
      3   0.193997D+00  0.680755D+00 -0.171302D+00 -0.173274D+01  0.210633D+01
               111           112           113           114           115 
      1   0.226445D+01 -0.877952D+00 -0.784485D+00 -0.152429D+01  0.355838D+00
      2  -0.605463D+01 -0.437802D+00  0.276185D+01  0.242130D+01 -0.526936D+01
      3   0.171076D+01  0.220700D+01 -0.893031D+00 -0.173777D+01  0.181428D+01
               116           117           118           119           120 
      1   0.285072D+01 -0.735888D+01  0.111517D+01  0.425020D+00  0.155901D+00
      2   0.409588D+01  0.221354D+02 -0.238659D+01 -0.566213D+00  0.433689D+00
      3  -0.391040D+01 -0.448116D+01  0.290949D+00 -0.117406D+01 -0.439431D+00
               121           122           123           124           125 
      1   0.697901D+00  0.161577D+01  0.279284D+00 -0.171295D+00  0.494280D+01
      2  -0.163848D+01 -0.410900D+00 -0.138839D+01 -0.467160D+01 -0.433075D+00
      3   0.266474D+01  0.318182D+00  0.631729D+00 -0.620501D+00  0.287254D+00
               126           127           128           129           130 
      1   0.353275D+01 -0.714015D+00  0.305415D+01  0.227718D+01  0.146841D+01
      2  -0.652795D+01 -0.566050D+00 -0.617336D+00  0.268375D+00 -0.133601D+01
      3   0.633894D+00 -0.845948D+01  0.874884D+01  0.113353D+01  0.865764D+01
               131           132           133           134           135 
      1  -0.464161D+01 -0.531654D+01 -0.357330D-01 -0.249144D+01 -0.244740D+01
      2   0.314524D+00  0.583985D+00 -0.950121D+00  0.179089D+01  0.972098D+00
      3  -0.173254D+02 -0.179807D+01  0.284051D+01 -0.546224D+01 -0.192688D+01
               136           137           138           139           140 
      1   0.339841D+01  0.180892D+01 -0.545100D+01  0.221803D+01  0.191363D+01
      2  -0.723493D+00 -0.174815D+01  0.464134D+01 -0.190758D+01 -0.214976D+01
      3   0.360571D+01 -0.238297D+01 -0.957018D+00  0.237949D+00 -0.325826D+01
               141           142           143           144           145 
      1  -0.321269D+01 -0.458325D+01 -0.988962D+00  0.936363D+01  0.568813D+01
      2   0.251010D+01 -0.164020D+00  0.289588D+01 -0.620158D+01  0.104032D+02
      3   0.466383D+00 -0.423187D+01  0.168367D+01  0.882776D+00  0.587805D+01
               146           147           148           149           150 
      1  -0.410223D+01 -0.477762D+01 -0.375279D+01  0.288902D+01  0.134364D+01
      2  -0.148001D+01 -0.507631D+01 -0.458938D+01  0.186678D+01  0.260717D+01
      3  -0.420853D+00 -0.333310D+01  0.248540D+00  0.626394D+00  0.927888D+00
               151           152           153           154           155 
      1  -0.495708D+01  0.367249D+01  0.726431D+01  0.168991D+01  0.607390D+00
      2  -0.841984D+01  0.107458D+01  0.844049D+01 -0.249834D+01 -0.108630D+01
      3  -0.353910D+01  0.110076D+01  0.392637D+01 -0.465218D+01 -0.298540D+01
               156           157           158           159           160 
      1   0.336802D+01 -0.177390D+00 -0.120368D+01 -0.222927D+01  0.119001D+01
      2   0.375622D+01  0.183439D+01  0.434018D+00 -0.731701D+00 -0.190997D+01
      3  -0.424975D+00  0.234549D+01  0.272727D+01  0.234230D+00 -0.271523D+01
               161           162           163           164           165 
      1   0.347960D+00  0.381575D+01 -0.222239D+01 -0.449625D+01 -0.342156D+01
      2  -0.670054D+00  0.367631D+01  0.185912D+01  0.138087D+01  0.105128D+00
      3  -0.889094D-01 -0.302513D+00  0.755408D+01  0.602190D+01  0.135506D+01
               166           167           168           169           170 
      1  -0.314738D+01 -0.923797D+01 -0.592617D+01 -0.220353D+01 -0.370496D+01
      2   0.106427D+01  0.179774D+01 -0.779711D-01 -0.110425D+01  0.380185D-01
      3   0.756234D+01  0.132859D+02  0.234595D+01  0.402451D+01  0.666606D+01
               171           172           173           174           175 
      1  -0.459274D+01 -0.236023D+01 -0.250974D+01  0.251893D+01 -0.237694D+01
      2  -0.292863D+00 -0.124740D+01 -0.234369D+01  0.428856D+01 -0.249753D+01
      3   0.282231D+01 -0.379770D+01 -0.430890D+01  0.451381D+01 -0.293294D+01
               176           177           178           179           180 
      1  -0.729073D+01  0.363741D+01  0.335813D+01  0.636817D+01 -0.535059D+01
      2  -0.516009D+01  0.749231D+01  0.278789D+01  0.378945D+01 -0.113248D+02
      3  -0.109264D+02  0.715305D+01  0.447963D+01  0.831979D+01 -0.651840D+01
               181           182           183           184           185 
      1   0.657143D+00  0.791448D+00 -0.117409D+01 -0.550792D-02  0.266451D+01
      2  -0.256440D+01 -0.513345D+01 -0.391063D+01 -0.327178D+01 -0.983362D+01
      3   0.453284D+01  0.591633D+01  0.451822D+01  0.331104D+01  0.164888D+02
               186           187           188           189           190 
      1  -0.236578D+01  0.557290D+00  0.216789D+01 -0.250112D+01  0.466510D+01
      2  -0.841129D+01 -0.198380D+01 -0.795645D+01 -0.997569D+01  0.112964D+02
      3   0.988322D+01  0.264242D+01  0.101130D+02  0.773484D+01  0.215248D+00
               191           192           193           194           195 
      1  -0.274563D+01  0.336153D+01 -0.281369D+01  0.173505D+01 -0.196891D+01
      2  -0.543341D+01  0.856293D+01 -0.484529D+01  0.210093D+01 -0.369238D+01
      3  -0.632485D+01  0.106803D+01 -0.260144D+01  0.529138D+01  0.662532D+00
               196           197           198           199           200 
      1   0.278961D+01 -0.395779D+00  0.241288D+01  0.226611D+00 -0.467614D+00
      2   0.642828D+01 -0.312722D+01  0.625484D+01  0.943195D+00  0.303072D+00
      3   0.170974D+01 -0.273762D+01  0.571029D+00  0.892202D+00  0.958957D-01
               201           202           203           204           205 
      1   0.103653D+00 -0.470107D+01  0.375879D-01 -0.124015D+01  0.608432D+00
      2  -0.528484D+00 -0.169655D+01 -0.201713D+01 -0.101402D+00 -0.448910D+01
      3   0.394709D+00  0.114845D+01  0.510835D+00  0.941886D+00  0.232352D+01
               206           207           208           209           210 
      1   0.309032D+01 -0.351473D+01  0.162396D+01  0.357800D-01  0.656223D-01
      2   0.684381D+00 -0.284658D+01  0.109320D+01 -0.349387D+00 -0.651773D+00
      3   0.169316D+01 -0.470897D-01 -0.288924D+01 -0.795989D+00 -0.119383D+00
               211           212           213           214           215 
      1  -0.623497D+01  0.573212D+00 -0.122587D+00  0.208266D+01  0.463188D+01
      2   0.139196D+01  0.176761D+01  0.261725D+01 -0.349326D+01  0.235872D+01
      3   0.973056D+01 -0.195662D+00 -0.179010D+01 -0.292902D+01 -0.306018D+01
               216           217           218           219           220 
      1   0.379595D+00 -0.221547D+00 -0.691145D+00 -0.193255D+00  0.199790D+01
      2   0.105475D+02 -0.852102D+00 -0.178589D+01  0.541329D+00 -0.714530D+00
      3  -0.310959D+01  0.551802D+00  0.313430D+01  0.219380D+01 -0.667223D+01
               221           222           223           224           225 
      1   0.579927D+01 -0.334874D+00  0.161942D-01  0.226170D+01  0.490788D-02
      2   0.958533D+01  0.792836D+01  0.357799D+01  0.588918D+01  0.805284D+01
      3  -0.327603D+02 -0.125043D+02 -0.949768D+00 -0.928664D+01 -0.659930D+01
               226           227           228           229           230 
      1  -0.328981D+00  0.607606D+00 -0.851149D+00  0.238934D+01 -0.302254D+01
      2  -0.868155D-01 -0.143322D+01  0.406973D+01 -0.413071D+01  0.852343D+01
      3   0.138116D+01 -0.290264D+01  0.197928D+01 -0.772120D+01  0.730090D+01
               231           232           233           234           235 
      1   0.254951D+01 -0.257631D+01  0.451549D+01 -0.466599D+01  0.154757D+01
      2  -0.121634D+02  0.891298D+01 -0.713958D+01  0.245259D+02 -0.157734D+02
      3  -0.111179D+02  0.438264D+01 -0.994977D+01  0.101583D+02  0.258712D+01
               236           237           238           239           240 
      1   0.170606D+00 -0.113306D+01  0.908341D+00  0.352952D+00 -0.519294D+00
      2  -0.894590D+00  0.115385D+02 -0.443787D+00 -0.731738D+00 -0.871478D+00
      3  -0.661440D+01 -0.483427D+00 -0.272624D+01 -0.853141D+00  0.446909D+00
               241           242           243 
      1  -0.118026D+01  0.840069D+00  0.754312D+00
      2   0.982365D+01 -0.102763D+00 -0.936591D+01
      3  -0.288369D+00  0.374083D+01  0.920321D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.745055D+01  0.707979D+01 -0.633637D+01  0.304588D+01  0.344439D+01
      2  -0.135903D+01 -0.161654D+02 -0.827620D+01 -0.113449D+02 -0.137486D+02
      3  -0.609152D+01  0.908560D+01  0.146126D+02  0.829904D+01  0.103042D+02
      4   0.141145D+02 -0.878181D+01  0.221437D+02 -0.627336D+01  0.743094D+01
      5  -0.178714D+02  0.184451D+02 -0.831385D+01  0.181474D+02  0.290587D+01
      6   0.137750D+02 -0.152797D+02  0.771803D+01 -0.107183D+02 -0.638869D+01
                 6             7             8             9            10 
      1   0.201055D+02 -0.623362D+01  0.203075D+02  0.201326D+01  0.350939D+00
      2  -0.151918D+02 -0.955301D+01 -0.176384D+02  0.354098D+01  0.862439D+01
      3  -0.491366D+01  0.157866D+02 -0.266906D+01 -0.555424D+01 -0.897532D+01
      4  -0.669750D+01  0.230218D+02 -0.945253D+01  0.270136D+01 -0.155131D+02
      5   0.606563D+01 -0.782691D+01  0.848836D+01 -0.636927D+01  0.128767D+02
      6   0.321842D+01  0.674556D+01  0.186016D+01  0.218549D+01 -0.102611D+02
                11            12            13            14            15 
      1  -0.464388D+01  0.673149D+01 -0.840275D+01 -0.785227D+01 -0.202394D+02
      2   0.347387D+01  0.929318D-01  0.399306D+01  0.117175D+02  0.921598D+01
      3   0.117001D+01 -0.682442D+01  0.440969D+01 -0.386519D+01  0.110234D+02
      4   0.370733D+01 -0.181535D+02  0.740369D+01 -0.232987D+02 -0.773679D+01
      5  -0.156790D+02 -0.633940D+01 -0.175054D+02 -0.160111D+02 -0.281418D+00
      6   0.877181D+01 -0.141920D+01 -0.172058D+01  0.143267D+01 -0.614795D+01
                16            17            18            19            20 
      1   0.542212D+01 -0.189734D+02 -0.674512D+01  0.428497D+02  0.834622D+01
      2   0.718854D+01  0.112904D+02 -0.151138D+01 -0.432901D+02 -0.118451D+02
      3  -0.126107D+02  0.768297D+01  0.825650D+01  0.440405D+00  0.349887D+01
      4  -0.259207D+02 -0.268495D+01  0.955207D-01  0.316929D+00 -0.103243D+02
      5  -0.711332D+01 -0.144010D+00  0.365121D+01  0.566798D+01  0.277265D+01
      6  -0.182323D+01 -0.348815D+01 -0.240177D+00  0.729550D+01 -0.179020D+01
                21            22            23            24            25 
      1   0.287252D+01  0.185452D+02  0.457831D+01  0.541971D+01  0.193053D+01
      2  -0.195785D+01 -0.181577D+02 -0.113953D+02  0.167494D+01 -0.542638D+01
      3  -0.914664D+00 -0.387500D+00  0.681694D+01 -0.709466D+01  0.349585D+01
      4   0.401600D+01 -0.320665D+02 -0.426267D+01 -0.250868D+01  0.106619D+02
      5   0.489678D+01  0.215082D+01  0.251694D+01  0.364953D+01  0.430419D+01
      6   0.196919D+01  0.669393D+01  0.442701D+01  0.172471D+01  0.195588D+01
                26            27            28            29            30 
      1   0.813412D+01  0.163951D+02 -0.119996D+03 -0.633953D+01  0.562607D+01
      2  -0.225693D+01  0.652070D+01  0.883007D+02  0.455318D+01 -0.250149D+01
      3  -0.587719D+01 -0.229158D+02  0.316955D+02  0.178635D+01 -0.312458D+01
      4  -0.593767D+01  0.652680D+01  0.415809D+01 -0.100047D+02  0.176408D+01
      5   0.423107D+01  0.594851D+01 -0.703918D+01  0.161543D+01 -0.112320D+02
      6   0.509530D+00 -0.119587D+00 -0.133402D+02 -0.542090D+01  0.143910D+01
                31            32            33            34            35 
      1  -0.287273D+02 -0.227415D+02  0.657367D+01 -0.259272D+02  0.245342D+01
      2   0.242078D+02  0.221325D+02 -0.479359D+01  0.162413D+02 -0.310057D+01
      3   0.451946D+01  0.609014D+00 -0.178008D+01  0.968586D+01  0.647148D+00
      4  -0.257912D+01 -0.658917D+01  0.175420D+01 -0.172939D+01  0.582661D+00
      5  -0.712140D+00 -0.206846D+00 -0.208091D+01  0.814471D+00  0.159973D+01
      6  -0.328680D+01 -0.648988D+01  0.469132D+01 -0.134772D+01  0.622855D-01
                36            37            38            39            40 
      1  -0.311197D+01  0.146195D+03  0.105177D+02 -0.911057D+01  0.292253D+02
      2  -0.280153D+01 -0.104332D+03 -0.653767D+01  0.636120D+01 -0.149435D+02
      3   0.591349D+01 -0.418628D+02 -0.398004D+01  0.274937D+01 -0.142817D+02
      4   0.159626D+01 -0.359335D+01  0.161605D+02 -0.116633D+01  0.290589D+02
      5   0.259237D+01 -0.765450D+01 -0.237557D+01  0.199803D+02 -0.423955D+01
      6  -0.493480D+01  0.155558D+02  0.550339D+01 -0.293888D+01  0.113477D+02
                41            42            43            44            45 
      1   0.886131D+00  0.266453D+01  0.285909D+02  0.858065D+01  0.126459D+02
      2   0.426105D+01  0.302457D+01 -0.178300D+02 -0.348056D+01 -0.752645D+00
      3  -0.514718D+01 -0.568910D+01 -0.107609D+02 -0.510009D+01 -0.118933D+02
      4   0.604283D+01  0.368939D+01 -0.168601D+01  0.335964D+01 -0.635553D+01
      5   0.400244D+01 -0.468973D+01  0.249753D+02 -0.448766D+01 -0.856444D+01
      6   0.743276D+00  0.493195D+01 -0.235312D+01  0.312953D+01 -0.542969D+01
                46            47            48            49            50 
      1  -0.612300D+02 -0.489844D+01 -0.836373D+01  0.983265D+00 -0.270949D+01
      2   0.446047D+02 -0.186893D+01  0.152572D+01 -0.551416D+01  0.623201D+01
      3   0.166254D+02  0.676737D+01  0.683802D+01  0.453089D+01 -0.352252D+01
      4  -0.582560D+01 -0.158800D+02 -0.434671D+01  0.221664D+01  0.142462D+01
      5   0.101788D+01 -0.160321D+01 -0.151095D+02 -0.215441D+02  0.555056D+01
      6  -0.113539D+02 -0.238261D+01 -0.594966D+00  0.159274D+01 -0.444367D+01
                51            52            53            54            55 
      1  -0.773328D+01  0.439848D+02 -0.339360D+01 -0.146751D+02  0.276731D+02
      2   0.917492D+01 -0.422358D+02 -0.144938D+01  0.196342D+02 -0.162773D+02
      3  -0.144164D+01 -0.174901D+01  0.484298D+01 -0.495914D+01 -0.113958D+02
      4   0.692946D+01 -0.225883D+02  0.562292D+01  0.973658D+01 -0.661138D+01
      5   0.717097D+01 -0.564799D+02  0.502820D+01  0.438839D+02 -0.185743D+02
      6   0.394495D+01  0.115682D+02 -0.598690D+01 -0.661940D+01  0.176525D+01
                56            57            58            59            60 
      1  -0.266247D+01 -0.101859D+02 -0.213869D+02 -0.111611D+01  0.276648D+01
      2   0.258195D+01  0.698833D+01  0.137487D+02  0.135647D+01 -0.290161D+01
      3   0.805138D-01  0.319753D+01  0.763815D+01 -0.240363D+00  0.135130D+00
      4   0.119929D+02  0.487879D+01  0.214073D+02 -0.138546D+02 -0.204368D+02
      5   0.407576D+01  0.202194D+02  0.165535D+02 -0.201076D+02 -0.108987D+02
      6  -0.127263D+01 -0.137340D+01 -0.970666D+01  0.777199D+01  0.133032D+02
                61            62            63            64            65 
      1  -0.681528D+02 -0.372407D+01  0.649187D+00 -0.304215D+02  0.197240D+02
      2   0.530514D+02  0.259281D+01 -0.304218D+02  0.685567D+01 -0.414402D+01
      3   0.151014D+02  0.113126D+01  0.297726D+02  0.235658D+02 -0.155799D+02
      4   0.124507D+02 -0.156821D+02 -0.141267D+02  0.213346D+02 -0.642968D+01
      5   0.646462D+02 -0.857008D+01 -0.753227D+02 -0.150364D+02  0.219757D+02
      6  -0.101984D+02  0.143131D+02  0.855247D+01  0.786926D+01 -0.988663D+01
                66            67            68            69            70 
      1  -0.107461D+02  0.144660D+02  0.451306D+01  0.327975D+02 -0.200894D+02
      2  -0.117088D+01  0.127010D+01 -0.282183D+00 -0.240905D+02  0.892427D+00
      3   0.119169D+02 -0.157361D+02 -0.423088D+01 -0.870695D+01  0.191969D+02
      4   0.266441D+02 -0.109485D+02  0.704200D+01  0.121015D+02  0.318670D+02
      5   0.548051D+01  0.227504D+02  0.170537D+02 -0.121760D+02  0.259878D+01
      6  -0.802608D+01 -0.573459D+01 -0.105379D+02 -0.848374D+01 -0.656708D+01
                71            72            73            74            75 
      1   0.337344D+02  0.225796D+01 -0.495030D+02 -0.149127D+02 -0.130962D+02
      2  -0.242252D+02  0.123339D+01  0.213099D+02  0.815932D+01 -0.264171D+01
      3  -0.950917D+01 -0.349135D+01  0.281932D+02  0.675343D+01  0.157379D+02
      4   0.916365D+01 -0.526642D+01 -0.203518D+02  0.143058D+01 -0.301627D+01
      5  -0.893160D+01  0.732121D+01 -0.160153D+02 -0.346112D+01  0.885616D+01
      6  -0.882553D+01 -0.653655D+00 -0.282388D+01 -0.312516D+01  0.579795D+01
                76            77            78            79            80 
      1  -0.135312D+02  0.986857D+01 -0.355849D+01 -0.295924D+01 -0.236979D+01
      2   0.105421D+02 -0.482470D+01  0.100296D+02 -0.526533D+01  0.747886D+01
      3   0.298910D+01 -0.504387D+01 -0.647108D+01  0.822458D+01 -0.510907D+01
      4   0.102962D+02  0.241049D+02  0.133269D+02  0.374643D+00  0.599722D+01
      5  -0.523991D+01  0.203455D+02 -0.472500D+01  0.118971D+02 -0.554241D+01
      6   0.424381D+01  0.927674D+01  0.176132D+01  0.480297D+01 -0.365868D+00
                81            82            83            84            85 
      1   0.205692D+02 -0.930068D+01 -0.972588D+01 -0.875853D+01 -0.100166D+02
      2  -0.120629D+01  0.157642D+02  0.242026D+02  0.134739D+02  0.212398D+02
      3  -0.193629D+02 -0.646347D+01 -0.144767D+02 -0.471535D+01 -0.112231D+02
      4  -0.249310D+01  0.833395D+01  0.905686D+01  0.106465D+02  0.192825D+02
      5  -0.114379D+02  0.273240D+01  0.112674D+02 -0.143128D+02  0.116768D+02
      6  -0.831281D+01  0.200291D+01  0.129582D+02 -0.122614D+02  0.561797D+01
                86            87            88            89            90 
      1   0.117128D+02  0.918437D+01 -0.256915D+02  0.104830D+02 -0.852801D+01
      2  -0.124750D+02 -0.796799D+01  0.285263D+02 -0.858071D+01  0.483929D+01
      3   0.762205D+00 -0.121638D+01 -0.283480D+01 -0.190224D+01  0.368872D+01
      4   0.868013D+01  0.578581D+01  0.204492D+02  0.126002D+02 -0.974245D+01
      5  -0.838320D+00 -0.760659D+00 -0.191824D+02 -0.563234D+01  0.589449D+01
      6  -0.567847D+01 -0.320429D+01 -0.157037D+02 -0.529068D+01  0.729491D+01
                91            92            93            94            95 
      1  -0.169555D+02  0.685540D+01  0.380570D+02  0.168879D+02  0.112838D+02
      2   0.675414D+01 -0.157827D+01 -0.179574D+02 -0.144082D+02 -0.938918D+01
      3   0.102013D+02 -0.527713D+01 -0.200996D+02 -0.247972D+01 -0.189459D+01
      4   0.122857D+02  0.126106D+02  0.108218D+02 -0.435450D+01 -0.283292D+02
      5   0.433870D+02  0.990300D+01 -0.284746D+01  0.120851D+02 -0.264950D+02
      6   0.639173D+01  0.438260D+01  0.231661D+01 -0.349817D+01 -0.963010D+01
                96            97            98            99           100 
      1   0.978971D+01  0.540547D+02  0.897131D+01 -0.201736D+02  0.840997D+02
      2  -0.155386D+02 -0.254096D+02 -0.115834D+02  0.146092D+02 -0.419144D+02
      3   0.574889D+01 -0.286451D+02  0.261212D+01  0.556443D+01 -0.421854D+02
      4  -0.285339D+02  0.116045D+02 -0.218880D+02  0.106010D+02  0.323369D+02
      5   0.169336D+02 -0.237483D+02  0.108823D+02 -0.282243D+02  0.260865D+02
      6  -0.861547D+01  0.347772D+01 -0.472984D+01  0.566591D+01  0.694159D+01
               101           102           103           104           105 
      1   0.136403D+02  0.135164D+02  0.596083D+01  0.695852D+01  0.105898D+01
      2  -0.365523D+01 -0.870562D+01 -0.226395D+00  0.525125D+00 -0.104971D+01
      3  -0.998512D+01 -0.481080D+01 -0.573444D+01 -0.748365D+01 -0.926819D-02
      4   0.193832D+02  0.720203D+01  0.150267D+02  0.669519D+01  0.222965D+01
      5   0.606653D+01  0.156682D+02  0.303257D+01  0.173692D+01  0.193101D+01
      6   0.431801D+01  0.409697D+01  0.300503D+01  0.593081D+00  0.238305D+01
               106           107           108           109           110 
      1   0.248295D+01  0.835957D+00  0.512515D+01  0.142262D+01  0.452269D+01
      2  -0.264664D+01 -0.206320D+01 -0.529625D+01 -0.296373D+01 -0.280897D+01
      3   0.163688D+00  0.122724D+01  0.171096D+00  0.154111D+01 -0.171372D+01
      4   0.202489D+01 -0.469924D+00  0.452852D+01  0.191430D+01 -0.210773D+01
      5   0.114491D+02  0.356157D+01  0.688412D+01  0.309334D+01  0.990572D-01
      6   0.296111D+01  0.197161D+01  0.295452D+01  0.280832D+01 -0.273729D+01
               111           112           113           114           115 
      1   0.100958D+02  0.196977D+01 -0.635938D+01 -0.306951D+01  0.770711D+01
      2   0.475318D+00 -0.135242D+01  0.229200D+01  0.115038D+01 -0.439416D+01
      3  -0.105711D+02 -0.617348D+00  0.406738D+01  0.191913D+01 -0.331295D+01
      4   0.112645D+01  0.146472D+01  0.101510D+01  0.302468D+01  0.351866D+01
      5  -0.373976D+01  0.131251D+01  0.188851D+01  0.369463D+01  0.621191D+01
      6  -0.471421D+01 -0.674213D+00  0.393564D+01  0.899268D+01  0.103713D+01
               116           117           118           119           120 
      1  -0.558871D+01 -0.228396D+02  0.127693D+00 -0.101685D+00 -0.261258D+01
      2   0.847461D+00 -0.123339D+02 -0.402757D+01 -0.115633D+00 -0.544040D+00
      3   0.474125D+01  0.351734D+02  0.389987D+01  0.217318D+00  0.315662D+01
      4   0.760757D+01  0.670525D+01 -0.116978D+01  0.246972D+01 -0.618700D-01
      5   0.757599D+01  0.324890D+02  0.261059D-01  0.939485D+00  0.627340D+01
      6   0.966745D+01  0.190690D+02  0.614416D+00  0.390490D+00 -0.289583D+00
               121           122           123           124           125 
      1   0.745118D+00 -0.615722D+01 -0.408083D+01 -0.187870D+01 -0.116528D+01
      2  -0.573606D+00  0.229953D+01 -0.199784D+01  0.890998D+00 -0.228554D+01
      3  -0.171511D+00  0.385768D+01  0.607867D+01  0.987705D+00  0.345082D+01
      4   0.178265D+01 -0.178627D+01 -0.153975D+01 -0.243981D+00 -0.273848D+01
      5   0.143212D+01 -0.190302D+01 -0.239319D+01  0.591224D+01 -0.159548D+01
      6   0.195143D+00  0.122353D+01  0.611299D+01 -0.536162D+00  0.572241D+01
               126           127           128           129           130 
      1  -0.249074D+02 -0.681972D+01  0.186323D+02  0.235714D+01  0.983762D+01
      2  -0.128259D+02  0.866990D+01 -0.261993D+02 -0.318875D+01 -0.123633D+02
      3   0.377333D+02 -0.185018D+01  0.756705D+01  0.831613D+00  0.252565D+01
      4  -0.326143D+01 -0.441862D+01  0.163581D+01 -0.644014D+00  0.599884D+01
      5  -0.113788D+02  0.453971D+00 -0.119313D+01  0.125078D+01 -0.111509D+01
      6  -0.944814D+00  0.127465D+01 -0.266963D+01 -0.253095D+01 -0.120994D+01
               131           132           133           134           135 
      1  -0.347648D+02 -0.335663D+01  0.476042D+01 -0.961181D+01 -0.511911D+01
      2   0.534663D+02  0.481877D+01 -0.454308D+01  0.133711D+02  0.581178D+01
      3  -0.187015D+02 -0.146214D+01 -0.217341D+00 -0.375930D+01 -0.692675D+00
      4   0.998772D+01  0.998687D-01  0.655615D+00  0.242724D+01  0.252297D+01
      5   0.106183D+01  0.270394D+01  0.336156D+01  0.303361D+01  0.836922D+00
      6   0.445045D+01  0.798071D+01  0.521812D+00  0.960660D+01  0.365528D+01
               136           137           138           139           140 
      1   0.114302D+02  0.115329D+01 -0.213131D+01  0.316491D+01 -0.625878D+01
      2  -0.394580D+01  0.327998D+01 -0.670584D+00  0.316265D+00  0.118358D+02
      3  -0.748436D+01 -0.443326D+01  0.280189D+01 -0.348118D+01 -0.557698D+01
      4   0.170365D+02  0.150504D+02 -0.112544D+02  0.111711D+02  0.136469D+02
      5  -0.150914D+02 -0.947835D+01  0.159541D+02 -0.641304D+01 -0.929888D+01
      6  -0.947749D+01 -0.902558D+01  0.108630D+02 -0.716680D+01 -0.104991D+02
               141           142           143           144           145 
      1   0.253841D+01  0.357550D-01  0.645425D+01 -0.583844D+01 -0.676647D+01
      2  -0.434368D+01 -0.292991D+01 -0.881204D+01  0.929820D-01 -0.326194D+01
      3   0.180527D+01  0.289416D+01  0.235779D+01  0.574546D+01  0.100284D+02
      4  -0.980346D+01 -0.177690D+02 -0.168523D+02  0.153736D+02  0.653333D+01
      5   0.809485D+01  0.184071D+02  0.134551D+02 -0.228854D+02 -0.241193D+01
      6   0.100915D+02  0.141555D+02  0.167071D+02 -0.217428D+02 -0.339309D+01
               146           147           148           149           150 
      1  -0.379723D+01  0.109923D+02  0.869804D+00 -0.196388D+01 -0.560049D+01
      2   0.608634D+01  0.383622D+01  0.320890D+01 -0.508721D-01 -0.143961D+01
      3  -0.228912D+01 -0.148285D+02 -0.407870D+01  0.201475D+01  0.704011D+01
      4  -0.896874D+00 -0.589877D+01 -0.180333D+01  0.268851D+01  0.152544D+01
      5  -0.119743D+01  0.124060D+01 -0.590805D+00 -0.545847D+00  0.246582D+01
      6  -0.232405D+01  0.582701D+01 -0.133540D+01  0.250906D+01  0.854471D+00
               151           152           153           154           155 
      1   0.836934D+01 -0.643503D+00 -0.163004D+02  0.163881D+02 -0.164171D+01
      2   0.374916D+01 -0.220903D+01 -0.782965D+01 -0.811431D+01 -0.348855D+01
      3  -0.121185D+02  0.285253D+01  0.241301D+02 -0.827381D+01  0.513027D+01
      4  -0.785270D+01  0.282197D+01  0.459133D+01 -0.275009D+02  0.223407D+02
      5   0.403152D+01 -0.126482D+01  0.391181D+01  0.244991D+02 -0.143518D+02
      6   0.275165D+01  0.458827D+01 -0.908936D+01 -0.132371D+02  0.135240D+02
               156           157           158           159           160 
      1   0.220032D+01 -0.179361D+01 -0.338045D+01  0.151284D+01  0.409912D+01
      2  -0.391088D+01 -0.168893D+01  0.938177D+01 -0.163695D+01 -0.409836D+01
      3   0.171055D+01  0.348254D+01 -0.600132D+01  0.124109D+00 -0.762049D-03
      4  -0.164305D+02  0.157118D+02 -0.167663D+02  0.103850D+02 -0.140271D+02
      5   0.208990D+02 -0.933206D+01  0.923086D+01 -0.840951D+01  0.169358D+02
      6  -0.135952D+02  0.916360D+01 -0.110927D+02  0.100579D+02 -0.102729D+02
               161           162           163           164           165 
      1   0.160253D+01 -0.250839D+01 -0.646739D+01 -0.116295D+02  0.346731D-01
      2  -0.843753D+00 -0.462742D+01  0.823280D+01  0.173540D+02  0.337465D+01
      3  -0.758777D+00  0.713581D+01 -0.176540D+01 -0.572458D+01 -0.340933D+01
      4   0.112769D+02 -0.126037D+02  0.234053D+01  0.321177D+01 -0.991393D+00
      5  -0.110482D+02  0.184577D+02 -0.747097D+00 -0.405893D+01  0.219317D-01
      6   0.114928D+02 -0.144635D+02 -0.638639D+00 -0.166155D+00  0.281040D+01
               166           167           168           169           170 
      1  -0.691071D+01 -0.238709D+02 -0.292903D+01 -0.286388D+01 -0.110275D+02
      2   0.102308D+02  0.397403D+02  0.723449D+01  0.452349D+01  0.171524D+02
      3  -0.332011D+01 -0.158694D+02 -0.430546D+01 -0.165960D+01 -0.612484D+01
      4   0.548266D+01 -0.843744D+01  0.476810D+00  0.747922D+00 -0.396311D+01
      5  -0.414133D+01 -0.464634D+01 -0.417384D+01  0.218441D+00 -0.362042D+01
      6   0.757491D+00 -0.213868D+01  0.666144D+01  0.103422D+01  0.480116D+01
               171           172           173           174           175 
      1  -0.433523D+01  0.174965D+02  0.441638D+01 -0.797130D+01  0.142929D+02
      2   0.547490D+01 -0.120337D+02 -0.515458D+01  0.941435D+01 -0.121558D+02
      3  -0.113967D+01 -0.546277D+01  0.738202D+00 -0.144305D+01 -0.213710D+01
      4  -0.909435D+00  0.270689D+01  0.706925D+01 -0.610234D+01  0.693918D+01
      5  -0.285124D+01 -0.130083D+02 -0.844268D+01  0.136440D+02 -0.162665D+02
      6   0.542609D+01 -0.170561D+01 -0.811935D+00  0.108748D+01 -0.958823D+00
               176           177           178           179           180 
      1   0.376938D+01 -0.866896D+01 -0.100959D+02 -0.615008D+01  0.515119D+01
      2  -0.577172D+01  0.133481D+02  0.125241D+02  0.987846D+01 -0.169381D+02
      3   0.200234D+01 -0.467910D+01 -0.242812D+01 -0.372838D+01  0.117869D+02
      4   0.160592D+02 -0.979276D+01 -0.611118D+01 -0.110081D+02  0.792416D+01
      5  -0.118544D+02  0.195708D+02  0.191092D+02  0.111687D+02 -0.290809D+02
      6  -0.525923D+01  0.395112D+01  0.781270D+00  0.595751D+01 -0.948667D+00
               181           182           183           184           185 
      1  -0.350930D+01 -0.126198D+02 -0.725737D+01 -0.987192D+01 -0.202567D+02
      2   0.308243D+01  0.923446D+01  0.281319D+01  0.422831D+01  0.209814D+02
      3   0.426870D+00  0.338534D+01  0.444418D+01  0.564361D+01 -0.724627D+00
      4  -0.913363D+00 -0.381025D+01 -0.455820D+01  0.723708D+01 -0.239768D+02
      5   0.218857D+01 -0.362265D+01 -0.396798D+01  0.256354D+01 -0.131627D+02
      6   0.201496D+01  0.757431D+01  0.679858D+01 -0.206284D+00  0.202382D+02
               186           187           188           189           190 
      1  -0.148149D+02 -0.403012D+01 -0.151784D+02 -0.132929D+02  0.694557D+02
      2   0.857354D+01  0.269054D+01  0.916004D+01  0.230684D+01 -0.272070D+02
      3   0.624132D+01  0.133958D+01  0.601840D+01  0.109861D+02 -0.422487D+02
      4  -0.133763D+02  0.381396D+00 -0.132967D+02 -0.964555D+01 -0.380048D+02
      5  -0.114432D+02  0.446164D+01 -0.957288D+01 -0.151970D+02  0.200598D+01
      6   0.163639D+02  0.508014D+00  0.155189D+02  0.152647D+02 -0.119284D+01
               191           192           193           194           195 
      1  -0.198545D+02  0.972640D+01 -0.198485D+02  0.983795D+01 -0.504468D+01
      2   0.307832D+01 -0.167233D+01  0.262981D+01  0.144387D+01  0.118772D+01
      3   0.167762D+02 -0.805406D+01  0.172187D+02 -0.112818D+02  0.385695D+01
      4   0.227117D+02 -0.665489D+01  0.243636D+02 -0.188133D+02  0.246333D+01
      5  -0.237696D+01  0.114930D+02 -0.175019D+01 -0.202559D+00 -0.361350D+01
      6   0.121928D+00 -0.320112D+01 -0.531760D-01  0.107156D+01  0.402954D+01
               196           197           198           199           200 
      1   0.275955D+02 -0.946526D+01  0.843235D+01 -0.547921D-01 -0.832915D+00
      2  -0.896992D+01  0.156208D+01 -0.352463D+01  0.129862D+01  0.546166D+00
      3  -0.186256D+02  0.790318D+01 -0.490772D+01 -0.124383D+01  0.286749D+00
      4  -0.183793D+02  0.110100D+02 -0.594271D+01  0.381854D+00  0.112699D+01
      5   0.987651D+01 -0.359450D+01  0.922487D+01 -0.926499D+00  0.454629D+00
      6  -0.301917D+01  0.319131D+01 -0.366609D+01  0.101886D+01 -0.341729D-01
               201           202           203           204           205 
      1  -0.122478D+01 -0.257427D+01 -0.143805D+01 -0.435435D+01 -0.680921D+01
      2   0.951752D+00 -0.142623D+01  0.928540D+00  0.231895D+01  0.350998D+01
      3   0.273024D+00  0.400050D+01  0.509507D+00  0.203540D+01  0.329923D+01
      4   0.841473D+00  0.298980D+00 -0.130673D+01 -0.186828D+01  0.989428D+00
      5   0.139780D+01  0.449898D+00 -0.113298D+01 -0.562879D+00  0.123560D+01
      6   0.151428D+00 -0.109791D+01  0.324709D+01  0.326615D+01  0.996445D+00
               206           207           208           209           210 
      1  -0.575441D+01 -0.123091D+02  0.296127D+01  0.214720D+01  0.539072D+01
      2   0.413553D+01  0.181082D+01 -0.364578D+01 -0.119324D+01 -0.201635D+01
      3   0.161888D+01  0.104983D+02  0.684510D+00 -0.953965D+00 -0.337437D+01
      4  -0.124101D+01 -0.235894D+01  0.259942D+01  0.127016D+01  0.147786D+01
      5  -0.155857D+01 -0.427128D+01  0.514304D+01  0.165229D+01  0.450740D+01
      6   0.498839D+01  0.691801D+01  0.169113D+01 -0.175022D+00  0.499265D+00
               211           212           213           214           215 
      1   0.264663D+01 -0.379283D+01 -0.371420D+01  0.286578D+01 -0.417014D+01
      2  -0.416185D+01  0.505942D+00 -0.170308D+01 -0.422991D+01 -0.286637D+00
      3   0.151522D+01  0.328688D+01  0.541728D+01  0.136413D+01  0.445678D+01
      4  -0.215819D+01  0.154881D+01  0.226340D+01  0.326845D+01  0.377962D+01
      5   0.468786D+01  0.307278D+01  0.630513D+01  0.832562D+01  0.507939D+01
      6  -0.143365D+01  0.273523D+01  0.415501D+01  0.221935D+01  0.642144D+01
               216           217           218           219           220 
      1  -0.190622D+02  0.299237D+01  0.788858D+01 -0.122625D-01  0.213118D+02
      2  -0.826076D+01 -0.375190D+00 -0.542895D+01 -0.197353D+00 -0.634508D+01
      3   0.273229D+02 -0.261718D+01 -0.245962D+01  0.209616D+00 -0.149667D+02
      4   0.385893D+01  0.294936D+01 -0.130020D+00 -0.146398D+01  0.215291D+02
      5   0.213293D+02 -0.224396D+01 -0.789700D+00  0.617293D-01  0.919311D+01
      6   0.569408D+01  0.188424D+01 -0.126338D+01 -0.152930D+01  0.488097D+01
               221           222           223           224           225 
      1  -0.840733D+01 -0.335019D+01  0.715454D+01 -0.358314D+01  0.160933D+01
      2   0.206383D+02  0.442654D+01 -0.399806D+01  0.308813D+01 -0.201155D+01
      3  -0.122309D+02 -0.107635D+01 -0.315648D+01  0.495006D+00  0.402214D+00
      4   0.578213D+02  0.215090D+02  0.438106D+01  0.170760D+02  0.113518D+02
      5   0.200156D+02  0.157325D+02  0.137432D+02  0.115396D+02  0.183384D+02
      6   0.169791D+02  0.116407D+02  0.210475D+01  0.976402D+01  0.648718D+01
               226           227           228           229           230 
      1   0.159780D+02 -0.622451D+01  0.640652D+01 -0.197195D+02  0.207810D+01
      2  -0.110295D+02  0.390905D+01 -0.521817D+01  0.128702D+02 -0.180795D+01
      3  -0.494856D+01  0.231547D+01 -0.118835D+01  0.684927D+01 -0.270155D+00
      4  -0.675636D+01  0.420496D+01 -0.517719D+01  0.132759D+02 -0.142817D+02
      5   0.829531D+01 -0.588226D+01  0.113241D+02 -0.165354D+02  0.184077D+02
      6  -0.268972D+01  0.576840D+00 -0.701524D+00  0.460065D+01 -0.594811D+01
               231           232           233           234           235 
      1  -0.538406D+01  0.234313D+02 -0.414619D-01  0.974705D+01  0.948793D+02
      2   0.971865D+01 -0.178622D+02  0.502054D+01 -0.215160D+02 -0.450830D+02
      3  -0.433458D+01 -0.556908D+01 -0.497907D+01  0.117690D+02 -0.497963D+02
      4   0.196034D+02 -0.486212D+01  0.194879D+02 -0.158529D+02  0.673195D+01
      5  -0.258336D+02  0.331647D+02 -0.145834D+02  0.545857D+02 -0.177954D+02
      6   0.869258D+01 -0.280932D+01  0.722063D+01 -0.647401D+01 -0.278995D+01
               236           237           238           239           240 
      1   0.218177D+01 -0.221228D+02 -0.478004D+01  0.841596D+01 -0.576961D+00
      2   0.114114D+00  0.928321D+01  0.339695D+01 -0.254732D+01  0.886484D+00
      3  -0.229589D+01  0.128396D+02  0.138309D+01 -0.586863D+01 -0.309522D+00
      4   0.135160D+02 -0.254609D+01  0.132805D+02  0.293027D+01 -0.181523D+01
      5  -0.165779D+01  0.173959D+02 -0.650004D+00 -0.138354D+01 -0.227625D+01
      6   0.243448D+00  0.180073D+01 -0.239514D+00  0.568432D+00  0.234420D+01
               241           242           243 
      1  -0.497921D+02 -0.278073D+01  0.186826D+02
      2   0.235652D+02  0.117333D+01 -0.104856D+02
      3   0.262269D+02  0.160740D+01 -0.819701D+01
      4  -0.522745D+01 -0.759864D+01  0.444866D+00
      5   0.217154D+02 -0.816774D-01 -0.167079D+02
      6   0.242486D+01  0.177701D+01 -0.243176D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 22:32:53 2021, MaxMem=  5637144576 cpu:           31079.7 elap:            3896.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90576 -10.12979 -10.06347 -10.06254 -10.05279
 Alpha  occ. eigenvalues --  -10.04626 -10.04414 -10.04219 -10.03762 -10.03435
 Alpha  occ. eigenvalues --  -10.02891  -1.12356  -0.97400  -0.89761  -0.85518
 Alpha  occ. eigenvalues --   -0.84385  -0.79391  -0.77908  -0.71817  -0.69616
 Alpha  occ. eigenvalues --   -0.63843  -0.61953  -0.58218  -0.57725  -0.55881
 Alpha  occ. eigenvalues --   -0.55085  -0.54443  -0.53369  -0.51674  -0.50379
 Alpha  occ. eigenvalues --   -0.48822  -0.48483  -0.47655  -0.46259  -0.45624
 Alpha  occ. eigenvalues --   -0.44821  -0.44107  -0.40821  -0.40177  -0.39048
 Alpha  occ. eigenvalues --   -0.35328  -0.33942
 Alpha virt. eigenvalues --    0.01288   0.02813   0.03410   0.03922   0.04142
 Alpha virt. eigenvalues --    0.05087   0.05345   0.05687   0.05958   0.06271
 Alpha virt. eigenvalues --    0.07260   0.07387   0.07676   0.08906   0.09207
 Alpha virt. eigenvalues --    0.09685   0.09960   0.10771   0.11159   0.11866
 Alpha virt. eigenvalues --    0.12431   0.12598   0.13029   0.13759   0.14198
 Alpha virt. eigenvalues --    0.14810   0.14876   0.15284   0.15326   0.15368
 Alpha virt. eigenvalues --    0.15748   0.16017   0.16784   0.16857   0.17242
 Alpha virt. eigenvalues --    0.17638   0.17912   0.18595   0.18814   0.19104
 Alpha virt. eigenvalues --    0.19391   0.19814   0.20242   0.20856   0.20974
 Alpha virt. eigenvalues --    0.21505   0.21958   0.22340   0.22434   0.23075
 Alpha virt. eigenvalues --    0.23978   0.24449   0.24566   0.25362   0.25920
 Alpha virt. eigenvalues --    0.26435   0.27253   0.28159   0.28485   0.28970
 Alpha virt. eigenvalues --    0.29485   0.29970   0.30293   0.30805   0.31237
 Alpha virt. eigenvalues --    0.31709   0.31979   0.32578   0.32727   0.33811
 Alpha virt. eigenvalues --    0.34147   0.34602   0.35018   0.35784   0.36480
 Alpha virt. eigenvalues --    0.36784   0.37130   0.37387   0.37853   0.38441
 Alpha virt. eigenvalues --    0.38844   0.40068   0.40894   0.41188   0.41585
 Alpha virt. eigenvalues --    0.42111   0.42559   0.43228   0.43318   0.43732
 Alpha virt. eigenvalues --    0.44256   0.44476   0.44559   0.44851   0.45605
 Alpha virt. eigenvalues --    0.46409   0.46644   0.47087   0.47423   0.48255
 Alpha virt. eigenvalues --    0.48943   0.49411   0.50094   0.51386   0.51759
 Alpha virt. eigenvalues --    0.52221   0.52818   0.53494   0.53578   0.54621
 Alpha virt. eigenvalues --    0.55089   0.55801   0.56105   0.56507   0.56908
 Alpha virt. eigenvalues --    0.57333   0.58172   0.58877   0.59163   0.59895
 Alpha virt. eigenvalues --    0.60405   0.60822   0.61227   0.61872   0.61977
 Alpha virt. eigenvalues --    0.62233   0.62582   0.62978   0.64033   0.64417
 Alpha virt. eigenvalues --    0.65077   0.65522   0.65991   0.66067   0.66612
 Alpha virt. eigenvalues --    0.66942   0.68092   0.68683   0.68946   0.69672
 Alpha virt. eigenvalues --    0.70085   0.70927   0.71394   0.71667   0.72075
 Alpha virt. eigenvalues --    0.72904   0.74077   0.74169   0.74350   0.75017
 Alpha virt. eigenvalues --    0.75170   0.75927   0.76844   0.77084   0.77552
 Alpha virt. eigenvalues --    0.77812   0.78641   0.79298   0.80139   0.80292
 Alpha virt. eigenvalues --    0.80940   0.81187   0.82230   0.83370   0.83421
 Alpha virt. eigenvalues --    0.83997   0.84743   0.84946   0.86731   0.87098
 Alpha virt. eigenvalues --    0.87860   0.88133   0.88659   0.90114   0.90674
 Alpha virt. eigenvalues --    0.91188   0.92043   0.92987   0.94093   0.94891
 Alpha virt. eigenvalues --    0.95991   0.96523   0.98201   0.98928   1.00070
 Alpha virt. eigenvalues --    1.00258   1.01236   1.02497   1.03986   1.04774
 Alpha virt. eigenvalues --    1.05406   1.06385   1.07075   1.08402   1.09743
 Alpha virt. eigenvalues --    1.10542   1.12054   1.12927   1.14388   1.14846
 Alpha virt. eigenvalues --    1.15100   1.16629   1.17838   1.18659   1.21857
 Alpha virt. eigenvalues --    1.23707   1.24532   1.25768   1.26532   1.26807
 Alpha virt. eigenvalues --    1.29385   1.29991   1.31612   1.33637   1.34742
 Alpha virt. eigenvalues --    1.35331   1.36584   1.37456   1.39542   1.41010
 Alpha virt. eigenvalues --    1.42852   1.42858   1.45954   1.47579   1.49145
 Alpha virt. eigenvalues --    1.50051   1.51280   1.53659   1.55381   1.56080
 Alpha virt. eigenvalues --    1.56352   1.58091   1.58753   1.59645   1.60230
 Alpha virt. eigenvalues --    1.62718   1.63488   1.64896   1.65617   1.66592
 Alpha virt. eigenvalues --    1.67225   1.68147   1.68914   1.69704   1.70508
 Alpha virt. eigenvalues --    1.71493   1.71948   1.73634   1.75375   1.75824
 Alpha virt. eigenvalues --    1.76382   1.77596   1.78911   1.79872   1.81035
 Alpha virt. eigenvalues --    1.81925   1.82633   1.84375   1.85812   1.86093
 Alpha virt. eigenvalues --    1.87306   1.87959   1.88649   1.90439   1.90782
 Alpha virt. eigenvalues --    1.93224   1.93864   1.95678   1.96681   1.97339
 Alpha virt. eigenvalues --    1.98866   2.01080   2.02507   2.03211   2.05521
 Alpha virt. eigenvalues --    2.06559   2.07053   2.08810   2.09550   2.10593
 Alpha virt. eigenvalues --    2.11280   2.11730   2.13590   2.14345   2.14928
 Alpha virt. eigenvalues --    2.15822   2.17096   2.17722   2.18809   2.19299
 Alpha virt. eigenvalues --    2.20560   2.21055   2.22265   2.24429   2.25672
 Alpha virt. eigenvalues --    2.26296   2.28400   2.28907   2.30544   2.33207
 Alpha virt. eigenvalues --    2.33520   2.33932   2.34514   2.35155   2.36530
 Alpha virt. eigenvalues --    2.39907   2.40834   2.41730   2.44560   2.45376
 Alpha virt. eigenvalues --    2.46265   2.48172   2.50215   2.51212   2.52771
 Alpha virt. eigenvalues --    2.54406   2.55272   2.57769   2.58962   2.60428
 Alpha virt. eigenvalues --    2.63660   2.64169   2.65435   2.66678   2.66839
 Alpha virt. eigenvalues --    2.68728   2.70389   2.72091   2.72797   2.73472
 Alpha virt. eigenvalues --    2.75441   2.77930   2.80939   2.83597   2.84817
 Alpha virt. eigenvalues --    2.86183   2.90384   2.92385   2.97403   2.97864
 Alpha virt. eigenvalues --    3.09011   3.11927   3.16601   3.19392   3.28651
 Alpha virt. eigenvalues --    3.36430   3.47716   3.51286   3.54815   3.61848
 Alpha virt. eigenvalues --    3.63751   3.76774   3.83853   3.96297   5.07826
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.053888  -0.525335   0.353377  -0.118419  -0.069792  -0.009834
     2  C   -0.525335  10.157740  -4.091887   1.726294  -0.585966  -0.007836
     3  C    0.353377  -4.091887  21.171120  -8.807814   1.776041  -0.490178
     4  C   -0.118419   1.726294  -8.807814  20.763261  -7.116540  -0.288272
     5  C   -0.069792  -0.585966   1.776041  -7.116540  14.532222  -2.117233
     6  C   -0.009834  -0.007836  -0.490178  -0.288272  -2.117233   8.422740
     7  O    0.005499   0.000626   0.031430  -0.042822   0.062012   0.169496
     8  C   -0.423273  -0.527138   0.138381  -0.413710   0.054575   0.012842
     9  C   -0.189072  -0.964616   0.965766  -0.305088   0.029289   0.021411
    10  C   -0.246766   1.489630  -3.332601   0.922674  -0.426634  -0.064730
    11  C   -0.004754  -0.015098  -0.056682  -0.306307   0.220173   0.047501
    12  H    0.146192  -0.098957  -0.211718   0.032801  -0.007616  -0.000648
    13  H   -0.298206   0.260851   0.026563   0.297672  -0.022066   0.008681
    14  H   -0.201817   0.226002  -2.823299   0.364694   0.091531   0.003612
    15  H    0.019338  -0.108439  -0.567296  -0.011144   0.217349  -0.020991
    16  H    0.012808   0.068112   0.303173   0.331007  -0.092272   0.018217
    17  H    0.076853   0.384725  -0.312141  -0.136606   0.090630  -0.014152
    18  H   -0.008031  -0.110676   0.181464  -0.023831   0.007700   0.003877
    19  H    0.368290  -0.026429  -0.136721   0.114836  -0.026135  -0.004495
    20  H   -0.037076   0.748524  -0.173027   0.001383  -0.035249  -0.004086
    21  H    0.013238  -0.081300  -0.049676   0.071404   0.000211   0.004859
    22  H    0.022178  -0.056703  -0.035680   0.045643  -0.003396   0.002793
    23  H    0.053549  -0.231710   0.824995  -2.641047   0.083193   0.102213
    24  H    0.014296   0.013181  -0.124845   0.450119  -1.953136   0.394758
    25  H    0.000405  -0.002219  -0.013128   0.033632  -0.096384   0.000923
    26  H   -0.001315  -0.000682  -0.017873   0.026203  -0.082492  -0.015309
    27  H    0.000265  -0.000905   0.015353  -0.061216   0.274343  -0.049052
               7          8          9         10         11         12
     1  C    0.005499  -0.423273  -0.189072  -0.246766  -0.004754   0.146192
     2  C    0.000626  -0.527138  -0.964616   1.489630  -0.015098  -0.098957
     3  C    0.031430   0.138381   0.965766  -3.332601  -0.056682  -0.211718
     4  C   -0.042822  -0.413710  -0.305088   0.922674  -0.306307   0.032801
     5  C    0.062012   0.054575   0.029289  -0.426634   0.220173  -0.007616
     6  C    0.169496   0.012842   0.021411  -0.064730   0.047501  -0.000648
     7  O    8.494273  -0.000419  -0.003181   0.000463  -0.075482   0.000005
     8  C   -0.000419   5.998105  -0.354094   0.159490   0.005677   0.017601
     9  C   -0.003181  -0.354094   6.930641  -0.826127   0.003874  -0.379606
    10  C    0.000463   0.159490  -0.826127   7.696252  -0.018729   0.185151
    11  C   -0.075482   0.005677   0.003874  -0.018729   5.145955   0.000034
    12  H    0.000005   0.017601  -0.379606   0.185151   0.000034   2.703794
    13  H   -0.000676   0.008111  -0.453531  -0.097887   0.000945  -0.814552
    14  H    0.001317   0.050588   0.049620   0.573017   0.029425   0.041058
    15  H    0.002441  -0.075895   0.237514  -0.127904   0.000598   0.190606
    16  H   -0.000376   0.041493  -0.098207  -0.708403  -0.001163  -0.277474
    17  H   -0.005299  -0.051292  -0.124322   0.192415  -0.002064   0.027338
    18  H    0.000777   0.167445   0.005299  -0.057702   0.000655   0.014216
    19  H    0.001243  -0.086144   0.012616  -0.016674  -0.001796   0.003279
    20  H    0.000276  -0.095495  -0.113973  -0.071064  -0.000381  -0.045820
    21  H   -0.000329   0.220308   0.001932   0.018036   0.000920   0.018588
    22  H   -0.000126   0.166280   0.039015   0.022094   0.000153  -0.037877
    23  H   -0.056746   0.073831  -0.051189  -0.251884   0.013123   0.020921
    24  H   -0.067649  -0.000529   0.017037   0.023800  -0.333886   0.003852
    25  H    0.021076  -0.000285  -0.000026  -0.001093   0.405983  -0.000123
    26  H    0.021931   0.000179   0.000805  -0.003388   0.426133  -0.000059
    27  H   -0.011601   0.000163   0.000236  -0.000387   0.041387   0.000053
              13         14         15         16         17         18
     1  C   -0.298206  -0.201817   0.019338   0.012808   0.076853  -0.008031
     2  C    0.260851   0.226002  -0.108439   0.068112   0.384725  -0.110676
     3  C    0.026563  -2.823299  -0.567296   0.303173  -0.312141   0.181464
     4  C    0.297672   0.364694  -0.011144   0.331007  -0.136606  -0.023831
     5  C   -0.022066   0.091531   0.217349  -0.092272   0.090630   0.007700
     6  C    0.008681   0.003612  -0.020991   0.018217  -0.014152   0.003877
     7  O   -0.000676   0.001317   0.002441  -0.000376  -0.005299   0.000777
     8  C    0.008111   0.050588  -0.075895   0.041493  -0.051292   0.167445
     9  C   -0.453531   0.049620   0.237514  -0.098207  -0.124322   0.005299
    10  C   -0.097887   0.573017  -0.127904  -0.708403   0.192415  -0.057702
    11  C    0.000945   0.029425   0.000598  -0.001163  -0.002064   0.000655
    12  H   -0.814552   0.041058   0.190606  -0.277474   0.027338   0.014216
    13  H    2.909697  -0.036486  -0.296564   0.201529  -0.091926  -0.017481
    14  H   -0.036486   3.721887   0.186360  -0.233164   0.011870  -0.004409
    15  H   -0.296564   0.186360   2.620110  -0.720506   0.012049   0.005784
    16  H    0.201529  -0.233164  -0.720506   2.664640  -0.001883  -0.004157
    17  H   -0.091926   0.011870   0.012049  -0.001883   1.959492  -0.497024
    18  H   -0.017481  -0.004409   0.005784  -0.004157  -0.497024   1.824169
    19  H    0.005643   0.004451  -0.001236  -0.000942  -0.369152  -0.345734
    20  H    0.015472  -0.063028  -0.006887  -0.009695  -0.034512   0.022238
    21  H   -0.010166  -0.024145   0.001961   0.002912   0.014097   0.028662
    22  H    0.024201   0.014693  -0.004487   0.011537   0.015135  -0.046032
    23  H   -0.092378   0.037599  -0.000687   0.024496   0.096034  -0.004140
    24  H   -0.009168  -0.193100   0.015043  -0.002521   0.017760  -0.000340
    25  H    0.000475   0.005164  -0.000617   0.000070  -0.001394   0.000320
    26  H    0.000445   0.004700  -0.000215  -0.000337  -0.000948  -0.000058
    27  H   -0.000407  -0.001346   0.000485   0.000082   0.001387   0.000004
              19         20         21         22         23         24
     1  C    0.368290  -0.037076   0.013238   0.022178   0.053549   0.014296
     2  C   -0.026429   0.748524  -0.081300  -0.056703  -0.231710   0.013181
     3  C   -0.136721  -0.173027  -0.049676  -0.035680   0.824995  -0.124845
     4  C    0.114836   0.001383   0.071404   0.045643  -2.641047   0.450119
     5  C   -0.026135  -0.035249   0.000211  -0.003396   0.083193  -1.953136
     6  C   -0.004495  -0.004086   0.004859   0.002793   0.102213   0.394758
     7  O    0.001243   0.000276  -0.000329  -0.000126  -0.056746  -0.067649
     8  C   -0.086144  -0.095495   0.220308   0.166280   0.073831  -0.000529
     9  C    0.012616  -0.113973   0.001932   0.039015  -0.051189   0.017037
    10  C   -0.016674  -0.071064   0.018036   0.022094  -0.251884   0.023800
    11  C   -0.001796  -0.000381   0.000920   0.000153   0.013123  -0.333886
    12  H    0.003279  -0.045820   0.018588  -0.037877   0.020921   0.003852
    13  H    0.005643   0.015472  -0.010166   0.024201  -0.092378  -0.009168
    14  H    0.004451  -0.063028  -0.024145   0.014693   0.037599  -0.193100
    15  H   -0.001236  -0.006887   0.001961  -0.004487  -0.000687   0.015043
    16  H   -0.000942  -0.009695   0.002912   0.011537   0.024496  -0.002521
    17  H   -0.369152  -0.034512   0.014097   0.015135   0.096034   0.017760
    18  H   -0.345734   0.022238   0.028662  -0.046032  -0.004140  -0.000340
    19  H    1.612384   0.013490  -0.045739   0.013131  -0.012348  -0.009899
    20  H    0.013490   2.024186  -0.437966  -0.458785  -0.003942  -0.003592
    21  H   -0.045739  -0.437966   1.787075  -0.397886   0.008690   0.013071
    22  H    0.013131  -0.458785  -0.397886   1.841474   0.003315  -0.000380
    23  H   -0.012348  -0.003942   0.008690   0.003315   3.825215   0.216759
    24  H   -0.009899  -0.003592   0.013071  -0.000380   0.216759   3.700602
    25  H    0.000023   0.000020  -0.000451  -0.000016  -0.006248  -0.080233
    26  H    0.000223   0.000010  -0.000039   0.000027  -0.007819  -0.078698
    27  H   -0.000162  -0.000071   0.000144   0.000007   0.006783   0.031344
              25         26         27
     1  C    0.000405  -0.001315   0.000265
     2  C   -0.002219  -0.000682  -0.000905
     3  C   -0.013128  -0.017873   0.015353
     4  C    0.033632   0.026203  -0.061216
     5  C   -0.096384  -0.082492   0.274343
     6  C    0.000923  -0.015309  -0.049052
     7  O    0.021076   0.021931  -0.011601
     8  C   -0.000285   0.000179   0.000163
     9  C   -0.000026   0.000805   0.000236
    10  C   -0.001093  -0.003388  -0.000387
    11  C    0.405983   0.426133   0.041387
    12  H   -0.000123  -0.000059   0.000053
    13  H    0.000475   0.000445  -0.000407
    14  H    0.005164   0.004700  -0.001346
    15  H   -0.000617  -0.000215   0.000485
    16  H    0.000070  -0.000337   0.000082
    17  H   -0.001394  -0.000948   0.001387
    18  H    0.000320  -0.000058   0.000004
    19  H    0.000023   0.000223  -0.000162
    20  H    0.000020   0.000010  -0.000071
    21  H   -0.000451  -0.000039   0.000144
    22  H   -0.000016   0.000027   0.000007
    23  H   -0.006248  -0.007819   0.006783
    24  H   -0.080233  -0.078698   0.031344
    25  H    1.088849  -0.148919  -0.189132
    26  H   -0.148919   1.081471  -0.192393
    27  H   -0.189132  -0.192393   1.330177
 Mulliken charges:
               1
     1  C    0.993515
     2  C   -1.639791
     3  C    1.456902
     4  C    1.091196
     5  C    1.195641
     6  C   -0.127107
     7  O   -0.548160
     8  C    0.913204
     9  C    1.547976
    10  C    0.968951
    11  C    0.473806
    12  H   -0.531040
    13  H   -0.518790
    14  H   -0.836794
    15  H   -0.566773
    16  H   -0.528977
    17  H   -0.257069
    18  H   -0.142993
    19  H   -0.066003
    20  H   -0.230949
    21  H   -0.158413
    22  H   -0.180310
    23  H   -1.030579
    24  H   -1.053646
    25  H   -0.016673
    26  H   -0.011585
    27  H   -0.195540
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.527450
     2  C   -1.639791
     3  C    0.620108
     4  C    0.060617
     5  C    0.141995
     6  C   -0.127107
     7  O   -0.548160
     8  C    0.343532
     9  C    0.498146
    10  C   -0.126799
    11  C    0.250007
 Electronic spatial extent (au):  <R**2>=           2494.7910
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.6423    Y=             -0.7414    Z=             -2.5709  Tot=              3.1395
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.8407   YY=            -69.3977   ZZ=            -71.1625
   XY=              3.1433   XZ=              8.3626   YZ=             -0.3245
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.9596   YY=              0.4026   ZZ=             -1.3622
   XY=              3.1433   XZ=              8.3626   YZ=             -0.3245
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -11.4697  YYY=              0.1754  ZZZ=             -2.9229  XYY=             -3.5424
  XXY=             -9.5283  XXZ=            -26.0422  XZZ=              6.0310  YZZ=             -0.5343
  YYZ=              0.5087  XYZ=              0.6181
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2516.8435 YYYY=           -468.0220 ZZZZ=           -378.3487 XXXY=             27.6418
 XXXZ=             73.9782 YYYX=              1.3258 YYYZ=              6.3837 ZZZX=              8.1790
 ZZZY=              0.2852 XXYY=           -509.2142 XXZZ=           -524.9274 YYZZ=           -141.1140
 XXYZ=            -18.5872 YYXZ=             -1.7197 ZZXY=              5.2792
 N-N= 6.093387863805D+02 E-N=-2.299226991709D+03  KE= 4.620964955165D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 22:32:53 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.01089548D-01-2.70004810D-01-9.90123062D-01
 Polarizability= 1.61281272D+02 5.03064875D+00 1.04214168D+02
                 3.11105867D+00 3.14748124D+00 1.08318591D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.5294   -1.5292        2.7078    2.7078
 2      1.5294    1.5292       -1.5477   -1.5482      -31.2311  -31.2302
 3     -2.7078   -2.7078       29.1721   29.1711        1.5490    1.5482
 4      1.5477    1.5482        0.0000    0.0000       -2.7082   -2.7078
 5      2.0591    2.0591        2.7082    2.7078       -1.5282   -1.5292
 6     -1.5490   -1.5482        1.5282    1.5292       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        4.5875    4.5875        8.1234    8.1234
 2      4.6446    4.6446        0.0000    0.0000        8.1234    8.1234
 3      4.6446    4.6446        4.5875    4.5875        0.0000    0.0000
 4      4.5875    4.5875       -4.6446   -4.6446      -93.6907  -93.6907
 5     -8.1234   -8.1234       87.5134   87.5134        4.6446    4.6446
 6      6.1773    6.1773        8.1234    8.1234       -4.5875   -4.5875
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0736    0.0000        6.1595    6.1166      -10.7063  -10.8312
 2     -6.0430   -6.1166        6.2223    6.1929      124.9028  124.9209
 3     10.7832   10.8312     -116.7066 -116.6845       -6.1594   -6.1929
 4     -6.1932   -6.1929       -0.0036    0.0000       10.8551   10.8312
 5     -8.2358   -8.2364      -10.8510  -10.8312        6.0950    6.1166
 6      6.1970    6.1929       -6.1078   -6.1166        0.0025    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0401    0.0000       29.9449   29.9577      -22.3266  -22.3066
 2    -29.9247  -29.9577      -36.5952  -36.6389        4.4533    4.4688
 3     22.3529   22.3066       43.8686   43.8310       36.5720   36.6389
 4     36.6196   36.6389       -0.0150    0.0000       22.3425   22.3066
 5    -48.2958  -48.2998      -22.4308  -22.3066       29.9795   29.9577
 6    -36.6166  -36.6389      -29.9615  -29.9577       -0.0179    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     57.3396   57.2665       27.3845   27.3608      -15.4134  -15.3446
 2     90.0069   89.9857       49.6461   49.7200      -15.3971  -15.3446
 3     90.0149   89.9857       27.3087   27.3608      -13.3332  -13.2801
 4    -22.3045  -22.3593      -32.7208  -32.7193       24.6400   24.6801
 5      2.1473    2.0645       38.9894   38.8869       32.7185   32.7193
 6    -63.6343  -63.5670       -2.2595   -2.0645       22.4081   22.3593
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.0699    0.0006    0.0006    0.0008    6.4673   13.2568
 Low frequencies ---   36.6930   64.8476   73.6485
 Diagonal vibrational polarizability:
       20.6008396      63.2096190       8.5645609
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     36.6879                64.8091                73.6407
 Red. masses --      3.3641                 3.4367                 3.4989
 Frc consts  --      0.0027                 0.0085                 0.0112
 IR Inten    --      3.0385                 1.0106                 1.0091
 RamAct Fr= 1--      1.8284                 0.7158                 0.5468
  Dep-P Fr= 1--      0.7323                 0.7408                 0.5408
  Dep-U Fr= 1--      0.8455                 0.8511                 0.7019
 Alpha2 Fr= 1--      0.0006                 0.0001                 0.0022
 Beta2  Fr= 1--      0.2576                 0.1015                 0.0640
 AlphaG Fr= 1--     -0.0035                 0.0016                 0.0146
 Gamma2 Fr= 1--     -0.1335                 0.0508                 0.5350
 Delta2 Fr= 1--      0.0500                 0.0255                 0.1408
 Raman1 Fr= 1--       7.314                  2.863                  2.187
 ROA1   Fr= 1--     -11.215                  5.690                 55.865
 CID1   Fr= 1--      -1.534                  1.987                 25.542
 Raman2 Fr= 1--       3.092                  1.218                  0.768
 ROA2   Fr= 1--      -3.604                  1.015                 11.714
 CID2   Fr= 1--      -1.166                  0.833                 15.260
 Raman3 Fr= 1--       6.183                  2.437                  1.535
 ROA3   Fr= 1--     -11.215                  5.690                 55.865
 CID3   Fr= 1--      -1.814                  2.335                 36.387
 RC180  Fr= 1--       0.691                  0.702                  0.404
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.04   0.09     0.10  -0.13  -0.09    -0.20  -0.00  -0.06
     2   6     0.04   0.01   0.02     0.04  -0.02  -0.00    -0.07   0.01   0.01
     3   6    -0.01  -0.09  -0.00    -0.00  -0.11  -0.03     0.03   0.03  -0.11
     4   6    -0.01  -0.11   0.01     0.00  -0.12  -0.02     0.02   0.07  -0.13
     5   6    -0.02  -0.03  -0.00    -0.03  -0.05  -0.01     0.01  -0.01  -0.07
     6   6    -0.02  -0.00  -0.00    -0.02   0.07   0.01     0.07  -0.04   0.03
     7   8     0.02  -0.18   0.06     0.00   0.20  -0.03     0.17  -0.12   0.06
     8   6     0.06   0.01   0.04     0.17   0.14   0.03     0.06   0.01   0.13
     9   6    -0.02   0.07  -0.05    -0.14   0.01   0.07    -0.14   0.01   0.07
    10   6    -0.08  -0.03  -0.08    -0.09  -0.05  -0.01     0.05   0.00  -0.08
    11   6    -0.08   0.28  -0.08    -0.04   0.01   0.07    -0.01   0.04   0.10
    12   1    -0.02   0.13  -0.08    -0.16   0.09   0.21    -0.14  -0.02   0.25
    13   1    -0.01   0.10  -0.05    -0.28  -0.04   0.03    -0.31   0.03  -0.00
    14   1    -0.02  -0.14   0.01     0.00  -0.12  -0.03     0.07  -0.00  -0.11
    15   1    -0.12  -0.04  -0.11    -0.15  -0.06  -0.09     0.06   0.06  -0.21
    16   1    -0.11  -0.04  -0.11    -0.03  -0.06   0.03     0.19  -0.09  -0.01
    17   1     0.11   0.03   0.08     0.00  -0.25  -0.12    -0.28  -0.01  -0.14
    18   1     0.15   0.11   0.10     0.12  -0.05  -0.05    -0.27  -0.02   0.03
    19   1     0.15  -0.02   0.14     0.24  -0.16  -0.17    -0.14   0.02  -0.14
    20   1     0.00  -0.01  -0.01     0.12   0.22   0.09     0.15   0.01   0.18
    21   1     0.09  -0.04   0.09     0.30   0.12  -0.04     0.13   0.02   0.07
    22   1     0.09   0.09   0.04     0.18   0.22   0.07    -0.01   0.01   0.24
    23   1     0.01  -0.17   0.03     0.02  -0.12  -0.01     0.02   0.13  -0.15
    24   1    -0.05   0.05  -0.03    -0.06  -0.05  -0.01    -0.03  -0.06  -0.05
    25   1    -0.20   0.33  -0.27    -0.09  -0.04   0.21    -0.04   0.08  -0.01
    26   1    -0.01   0.46   0.03    -0.02  -0.10  -0.01    -0.09   0.13   0.18
    27   1    -0.07   0.27  -0.07    -0.04   0.14   0.08     0.05  -0.02   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    115.7161               140.6741               151.7900
 Red. masses --      1.0817                 2.6931                 3.1542
 Frc consts  --      0.0085                 0.0314                 0.0428
 IR Inten    --      0.0006                 0.3762                 1.5852
 RamAct Fr= 1--      0.4369                 1.2205                 0.5581
  Dep-P Fr= 1--      0.7275                 0.7462                 0.6030
  Dep-U Fr= 1--      0.8422                 0.8546                 0.7524
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0015
 Beta2  Fr= 1--      0.0613                 0.1739                 0.0700
 AlphaG Fr= 1--     -0.0011                -0.0008                -0.0060
 Gamma2 Fr= 1--     -0.0594                 0.2261                -0.1730
 Delta2 Fr= 1--      0.0505                 0.2054                -0.0168
 Raman1 Fr= 1--       1.748                  4.882                  2.232
 ROA1   Fr= 1--      -4.085                 28.273                -17.142
 CID1   Fr= 1--      -2.338                  5.791                 -7.679
 Raman2 Fr= 1--       0.736                  2.086                  0.840
 ROA2   Fr= 1--      -1.829                  3.782                 -4.017
 CID2   Fr= 1--      -2.486                  1.813                 -4.784
 Raman3 Fr= 1--       1.472                  4.172                  1.680
 ROA3   Fr= 1--      -4.085                 28.273                -17.142
 CID3   Fr= 1--      -2.775                  6.776                -10.207
 RC180  Fr= 1--       0.684                  0.709                  0.505
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01     0.03   0.02   0.06     0.03  -0.06  -0.02
     2   6    -0.00   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.01
     3   6     0.00   0.02  -0.00     0.00  -0.03  -0.00    -0.01  -0.04  -0.01
     4   6     0.00   0.01  -0.00    -0.01  -0.07  -0.06     0.03   0.08   0.10
     5   6     0.01  -0.04   0.01    -0.07   0.25  -0.17    -0.01   0.22   0.08
     6   6     0.00  -0.01   0.00    -0.00   0.07  -0.05    -0.03   0.05   0.04
     7   8     0.01  -0.04   0.01     0.09  -0.05  -0.00    -0.14  -0.08   0.07
     8   6    -0.01   0.00  -0.01     0.01  -0.05   0.03     0.04   0.03   0.02
     9   6     0.00   0.00   0.00     0.02  -0.00  -0.01    -0.06   0.00  -0.01
    10   6     0.01   0.01   0.00    -0.06  -0.00   0.06     0.09  -0.06  -0.17
    11   6    -0.00   0.04  -0.01    -0.04  -0.07   0.08     0.08  -0.06  -0.08
    12   1     0.00  -0.00   0.00     0.02   0.02  -0.08    -0.06  -0.02   0.16
    13   1     0.00  -0.00   0.00     0.09  -0.02   0.03    -0.23   0.08  -0.08
    14   1    -0.00   0.02  -0.00     0.06   0.01  -0.02    -0.12  -0.13   0.02
    15   1     0.01   0.01   0.01    -0.11  -0.06   0.13     0.18   0.07  -0.36
    16   1     0.01   0.01   0.01    -0.11   0.10   0.06     0.19  -0.30  -0.19
    17   1    -0.01   0.01  -0.01     0.05   0.04   0.07    -0.02  -0.12  -0.03
    18   1    -0.02  -0.01  -0.01     0.05   0.05   0.06     0.04  -0.03  -0.01
    19   1    -0.02   0.01  -0.02     0.03  -0.01   0.10     0.09  -0.08  -0.05
    20   1    -0.00   0.01  -0.00    -0.00  -0.07  -0.00     0.02   0.05   0.03
    21   1    -0.01   0.01  -0.01     0.01  -0.07   0.06     0.09   0.01   0.01
    22   1    -0.01  -0.01  -0.01     0.01  -0.02   0.04     0.05   0.08   0.04
    23   1    -0.01   0.05  -0.01     0.01  -0.38   0.04     0.12  -0.01   0.13
    24   1     0.02  -0.07   0.02    -0.14   0.53  -0.25    -0.01   0.33   0.05
    25   1    -0.23  -0.18   0.49    -0.04  -0.16   0.31     0.20  -0.09   0.03
    26   1     0.33  -0.34  -0.33    -0.08  -0.28  -0.06     0.15  -0.15  -0.15
    27   1    -0.09   0.54  -0.17    -0.01   0.04   0.12     0.00  -0.09  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    218.2932               244.6938               261.5399
 Red. masses --      1.2307                 1.9476                 2.7532
 Frc consts  --      0.0346                 0.0687                 0.1110
 IR Inten    --      0.1584                 0.6104                 0.2316
 RamAct Fr= 1--      0.2186                 0.3572                 5.0682
  Dep-P Fr= 1--      0.2937                 0.5148                 0.2306
  Dep-U Fr= 1--      0.4540                 0.6797                 0.3748
 Alpha2 Fr= 1--      0.0023                 0.0016                 0.0634
 Beta2  Fr= 1--      0.0165                 0.0405                 0.3166
 AlphaG Fr= 1--     -0.0027                 0.0005                -0.0095
 Gamma2 Fr= 1--      0.3616                 0.1871                 0.0091
 Delta2 Fr= 1--     -0.0505                 0.1064                 0.0022
 Raman1 Fr= 1--       0.875                  1.429                 20.273
 ROA1   Fr= 1--      33.101                 21.368                  0.945
 CID1   Fr= 1--      37.848                 14.955                  0.047
 Raman2 Fr= 1--       0.199                  0.486                  3.799
 ROA2   Fr= 1--       9.083                  3.640                  0.201
 CID2   Fr= 1--      45.750                  7.497                  0.053
 Raman3 Fr= 1--       0.397                  0.971                  7.597
 ROA3   Fr= 1--      33.101                 21.368                  0.945
 CID3   Fr= 1--      83.360                 22.004                  0.124
 RC180  Fr= 1--      -0.092                  0.359                 -0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.08   0.04  -0.07    -0.06   0.02   0.01
     2   6    -0.02  -0.01   0.01     0.03   0.00  -0.06    -0.04   0.01  -0.00
     3   6    -0.01   0.02   0.00     0.02   0.01  -0.04    -0.03  -0.05  -0.00
     4   6    -0.02   0.05  -0.02     0.02  -0.04   0.00     0.06  -0.11   0.08
     5   6    -0.00  -0.00  -0.02    -0.02   0.01   0.05     0.07   0.01   0.03
     6   6    -0.00  -0.00  -0.01    -0.03   0.01   0.05     0.10   0.02   0.02
     7   8     0.02  -0.01  -0.01    -0.09   0.00   0.04     0.10   0.04   0.02
     8   6    -0.05   0.01  -0.04     0.13  -0.07   0.07    -0.11  -0.03  -0.04
     9   6    -0.01  -0.03   0.02     0.06   0.00  -0.07    -0.12   0.05  -0.00
    10   6     0.04  -0.01   0.01    -0.06   0.03   0.04    -0.15   0.01  -0.02
    11   6    -0.02   0.00   0.01     0.01  -0.00  -0.02     0.19   0.01  -0.07
    12   1    -0.01  -0.05   0.08     0.06   0.01  -0.22    -0.13   0.12   0.02
    13   1    -0.06  -0.03   0.01     0.21  -0.03  -0.01    -0.15   0.02  -0.01
    14   1     0.00   0.02   0.00     0.01   0.07  -0.06    -0.08  -0.06   0.00
    15   1     0.06   0.02  -0.02    -0.12  -0.06   0.17    -0.23  -0.04  -0.02
    16   1     0.06  -0.04   0.01    -0.13   0.19   0.05    -0.16   0.06  -0.00
    17   1    -0.28  -0.13  -0.22    -0.36   0.01  -0.33    -0.09   0.01  -0.03
    18   1     0.08   0.41   0.37    -0.18   0.23   0.23    -0.07   0.05   0.05
    19   1     0.53  -0.29   0.06     0.20  -0.09  -0.14    -0.02  -0.01   0.00
    20   1     0.04   0.05   0.06     0.33  -0.09   0.15     0.09   0.03   0.11
    21   1    -0.14   0.13  -0.15     0.17  -0.03  -0.02    -0.29   0.20  -0.22
    22   1    -0.11  -0.16  -0.08    -0.00  -0.16   0.23    -0.22  -0.34  -0.10
    23   1    -0.04   0.10  -0.04     0.08  -0.06   0.01     0.10  -0.23   0.12
    24   1     0.01  -0.05  -0.00    -0.06   0.04   0.04     0.07   0.13  -0.00
    25   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.27   0.03  -0.08
    26   1    -0.03  -0.00   0.01     0.05   0.00  -0.02     0.28   0.03  -0.07
    27   1    -0.00   0.01   0.03    -0.02  -0.02  -0.06     0.11  -0.03  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    272.7936               333.8646               358.9876
 Red. masses --      1.1290                 2.3561                 2.3208
 Frc consts  --      0.0495                 0.1547                 0.1762
 IR Inten    --      0.0620                 2.0228                 0.6498
 RamAct Fr= 1--      0.5199                 0.8800                 1.3936
  Dep-P Fr= 1--      0.2195                 0.2122                 0.6699
  Dep-U Fr= 1--      0.3600                 0.3501                 0.8023
 Alpha2 Fr= 1--      0.0067                 0.0116                 0.0020
 Beta2  Fr= 1--      0.0312                 0.0514                 0.1864
 AlphaG Fr= 1--     -0.0025                -0.0035                 0.0109
 Gamma2 Fr= 1--     -0.0106                -0.8585                -0.5415
 Delta2 Fr= 1--     -0.0339                -0.1323                -0.3272
 Raman1 Fr= 1--       2.080                  3.520                  5.574
 ROA1   Fr= 1--      -2.104                -86.651                -62.456
 CID1   Fr= 1--      -1.011                -24.616                -11.204
 Raman2 Fr= 1--       0.374                  0.616                  2.236
 ROA2   Fr= 1--       0.016                -19.546                -10.378
 CID2   Fr= 1--       0.042                -31.718                 -4.641
 Raman3 Fr= 1--       0.749                  1.232                  4.472
 ROA3   Fr= 1--      -2.104                -86.651                -62.456
 CID3   Fr= 1--      -2.810                -70.306                -13.965
 RC180  Fr= 1--      -0.280                 -0.300                  0.605
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.13   0.04   0.03     0.09  -0.16  -0.05
     2   6    -0.02  -0.01  -0.02     0.02  -0.01  -0.08    -0.04  -0.00   0.05
     3   6    -0.01   0.01  -0.01     0.03   0.04  -0.11    -0.05   0.00   0.04
     4   6     0.01   0.01   0.01     0.02   0.06  -0.11    -0.06   0.16  -0.01
     5   6     0.01   0.00   0.01    -0.03   0.00   0.01    -0.00   0.02  -0.01
     6   6     0.03   0.01   0.01    -0.02   0.01   0.06     0.02   0.02  -0.02
     7   8     0.03   0.01   0.01    -0.07   0.00   0.06     0.07  -0.02   0.00
     8   6    -0.02  -0.02  -0.01     0.03  -0.13  -0.01    -0.01  -0.05   0.11
     9   6    -0.03  -0.02  -0.00    -0.12  -0.03   0.06     0.02   0.05  -0.07
    10   6    -0.03   0.01   0.02    -0.03   0.04   0.06    -0.10   0.02  -0.01
    11   6     0.05   0.00  -0.02     0.04   0.00  -0.02     0.03  -0.00  -0.02
    12   1    -0.03  -0.01  -0.00    -0.14   0.05   0.27     0.03   0.03  -0.27
    13   1    -0.02  -0.05   0.01    -0.30  -0.20   0.02     0.20   0.13  -0.02
    14   1    -0.03   0.03  -0.01     0.08   0.12  -0.14    -0.05  -0.06   0.05
    15   1    -0.06  -0.02   0.05    -0.10  -0.01   0.08    -0.16  -0.06   0.09
    16   1    -0.03   0.05   0.04     0.05   0.13   0.16    -0.20   0.14  -0.04
    17   1    -0.14  -0.04  -0.11     0.36   0.12   0.20     0.10  -0.37   0.08
    18   1    -0.02   0.14   0.12     0.26   0.03  -0.17     0.17  -0.19  -0.21
    19   1     0.15  -0.10  -0.01    -0.04   0.03   0.21     0.13  -0.10  -0.17
    20   1    -0.41  -0.15  -0.34     0.16  -0.22  -0.04     0.12  -0.09   0.14
    21   1     0.14  -0.38   0.36    -0.04  -0.11   0.01    -0.01  -0.03   0.09
    22   1     0.21   0.46  -0.03    -0.05  -0.22   0.06    -0.10  -0.11   0.21
    23   1     0.01   0.03   0.00     0.08   0.14  -0.13    -0.12   0.37  -0.08
    24   1     0.02  -0.01   0.01    -0.10  -0.08   0.04     0.06  -0.17   0.05
    25   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.08  -0.00  -0.00
    26   1     0.08   0.01  -0.02     0.09   0.01  -0.02     0.03  -0.02  -0.03
    27   1     0.03  -0.01  -0.05    -0.02  -0.03  -0.09     0.02  -0.03  -0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    363.0272               415.0673               440.3594
 Red. masses --      2.2433                 2.9342                 2.2953
 Frc consts  --      0.1742                 0.2978                 0.2622
 IR Inten    --      0.3907                 2.8074                 0.5366
 RamAct Fr= 1--      0.6948                 1.7186                 0.3905
  Dep-P Fr= 1--      0.5575                 0.1185                 0.7403
  Dep-U Fr= 1--      0.7159                 0.2119                 0.8507
 Alpha2 Fr= 1--      0.0025                 0.0287                 0.0001
 Beta2  Fr= 1--      0.0829                 0.0607                 0.0554
 AlphaG Fr= 1--      0.0033                -0.0210                 0.0041
 Gamma2 Fr= 1--      0.3269                 0.5433                 0.4547
 Delta2 Fr= 1--      0.0524                 0.1305                 0.1118
 Raman1 Fr= 1--       2.779                  6.874                  1.562
 ROA1   Fr= 1--      33.058                 56.331                 47.225
 CID1   Fr= 1--      11.895                  8.194                 30.234
 Raman2 Fr= 1--       0.995                  0.728                  0.664
 ROA2   Fr= 1--       7.427                 11.994                 10.017
 CID2   Fr= 1--       7.466                 16.466                 15.076
 Raman3 Fr= 1--       1.990                  1.457                  1.329
 ROA3   Fr= 1--      33.058                 56.331                 47.225
 CID3   Fr= 1--      16.615                 38.667                 35.538
 RC180  Fr= 1--       0.432                 -0.576                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.02   0.12     0.02   0.07   0.02    -0.05   0.02   0.00
     2   6    -0.05  -0.08  -0.00    -0.05  -0.05  -0.14     0.12  -0.03   0.03
     3   6    -0.02  -0.07  -0.04    -0.11   0.05   0.04     0.08  -0.12   0.03
     4   6    -0.03   0.07  -0.09    -0.04   0.08   0.20     0.06   0.12   0.02
     5   6    -0.04   0.01  -0.01     0.06   0.03   0.05     0.07   0.06   0.03
     6   6     0.00   0.04   0.04     0.03  -0.03  -0.09     0.01   0.06  -0.06
     7   8     0.02  -0.00   0.06     0.09  -0.01  -0.09    -0.04  -0.06  -0.03
     8   6     0.05   0.15  -0.03     0.12  -0.03  -0.01     0.03  -0.03  -0.10
     9   6     0.03  -0.11  -0.04    -0.08  -0.11  -0.06    -0.03   0.05   0.04
    10   6    -0.04  -0.08   0.03    -0.04  -0.01   0.00    -0.10  -0.04   0.01
    11   6     0.08  -0.00  -0.04    -0.05  -0.00   0.01    -0.05  -0.00   0.04
    12   1     0.04  -0.18  -0.20    -0.08  -0.11   0.04    -0.05   0.22   0.10
    13   1     0.18  -0.08   0.01    -0.15  -0.21  -0.07    -0.10  -0.02   0.02
    14   1     0.02  -0.08  -0.04    -0.31   0.14   0.04     0.06  -0.20   0.05
    15   1    -0.09  -0.17   0.15     0.06   0.05   0.02    -0.27  -0.16   0.02
    16   1    -0.09   0.07   0.05    -0.03  -0.09  -0.02    -0.12   0.10   0.05
    17   1     0.05   0.19   0.12     0.14   0.24   0.05    -0.12   0.13  -0.12
    18   1    -0.04   0.03   0.11     0.08   0.16  -0.01    -0.19  -0.10   0.14
    19   1    -0.17  -0.01   0.27    -0.08  -0.02   0.25    -0.09   0.09  -0.06
    20   1    -0.02   0.35   0.15     0.26  -0.01   0.08    -0.07  -0.02  -0.13
    21   1     0.22   0.20  -0.23     0.31  -0.06  -0.11    -0.10   0.01  -0.06
    22   1     0.08   0.20  -0.05     0.01   0.02   0.21     0.10  -0.09  -0.27
    23   1    -0.03   0.23  -0.14    -0.07   0.08   0.19     0.06   0.41  -0.07
    24   1    -0.08  -0.14   0.03     0.26   0.05   0.04     0.17  -0.20   0.11
    25   1     0.19   0.01  -0.03    -0.16  -0.02   0.02    -0.07  -0.03   0.10
    26   1     0.15  -0.01  -0.05    -0.15  -0.01   0.02    -0.24  -0.07   0.02
    27   1     0.00  -0.07  -0.14     0.04   0.06   0.14     0.06  -0.01   0.20
                     16                     17                     18
                      A                      A                      A
 Frequencies --    487.0436               588.0546               618.5416
 Red. masses --      2.7530                 2.5204                 3.7164
 Frc consts  --      0.3848                 0.5135                 0.8378
 IR Inten    --      8.7908                 2.6738                17.6514
 RamAct Fr= 1--      1.0482                 2.2071                 8.2616
  Dep-P Fr= 1--      0.4475                 0.0279                 0.1209
  Dep-U Fr= 1--      0.6183                 0.0543                 0.2157
 Alpha2 Fr= 1--      0.0065                 0.0459                 0.1374
 Beta2  Fr= 1--      0.1080                 0.0200                 0.2970
 AlphaG Fr= 1--     -0.0120                -0.1379                 0.0718
 Gamma2 Fr= 1--     -0.3854                -0.0700                 0.5225
 Delta2 Fr= 1--     -0.2411                -0.1790                -0.3898
 Raman1 Fr= 1--       4.193                  8.828                 33.046
 ROA1   Fr= 1--     -44.714                -12.447                 37.691
 CID1   Fr= 1--     -10.665                 -1.410                  1.141
 Raman2 Fr= 1--       1.296                  0.239                  3.564
 ROA2   Fr= 1--      -7.320                 -0.247                 15.659
 CID2   Fr= 1--      -5.648                 -1.032                  4.394
 Raman3 Fr= 1--       2.592                  0.479                  7.128
 ROA3   Fr= 1--     -44.714                -12.447                 37.691
 CID3   Fr= 1--     -17.248                -25.987                  5.288
 RC180  Fr= 1--       0.237                 -0.891                 -0.569
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.06     0.02   0.06  -0.05    -0.03  -0.07   0.06
     2   6    -0.12  -0.02   0.01    -0.06   0.05  -0.03     0.00  -0.03   0.02
     3   6     0.07   0.03  -0.13    -0.01  -0.01  -0.02     0.08   0.03  -0.09
     4   6     0.17  -0.00  -0.00     0.03  -0.10   0.02     0.08  -0.01   0.04
     5   6     0.13   0.03   0.06     0.03  -0.10   0.02    -0.02   0.00   0.16
     6   6     0.07  -0.06  -0.03    -0.02   0.27  -0.09    -0.15   0.05   0.01
     7   8    -0.12  -0.01  -0.06    -0.02  -0.09   0.02     0.20   0.03   0.05
     8   6    -0.08   0.06   0.06    -0.06   0.03   0.05     0.00  -0.00  -0.01
     9   6    -0.03  -0.04  -0.05     0.01  -0.04   0.01    -0.01   0.02  -0.02
    10   6    -0.02   0.05  -0.02     0.02  -0.01   0.01     0.04   0.09  -0.02
    11   6    -0.03   0.02   0.07     0.02   0.04   0.01    -0.23  -0.08  -0.18
    12   1    -0.01  -0.17  -0.18     0.02  -0.12  -0.04    -0.01  -0.01   0.04
    13   1     0.11   0.06  -0.01     0.06  -0.04   0.03    -0.06   0.07  -0.04
    14   1     0.06   0.02  -0.13    -0.01   0.01  -0.02     0.08   0.02  -0.09
    15   1    -0.15  -0.10   0.12     0.06   0.03  -0.01    -0.07  -0.04   0.11
    16   1    -0.04   0.30   0.06     0.05  -0.06   0.01     0.02   0.29   0.05
    17   1     0.06  -0.17   0.17     0.06  -0.00   0.01    -0.03  -0.08   0.07
    18   1     0.12   0.03  -0.06     0.10   0.12  -0.13    -0.03  -0.07   0.06
    19   1     0.03  -0.15   0.13     0.05   0.02  -0.02    -0.03  -0.08   0.07
    20   1    -0.12   0.14   0.12     0.00  -0.01   0.04    -0.07   0.05   0.01
    21   1     0.01   0.07  -0.01    -0.03   0.00   0.07    -0.01   0.03  -0.04
    22   1    -0.06   0.11   0.07    -0.10   0.04   0.14     0.05  -0.00  -0.10
    23   1     0.34  -0.14   0.05     0.01   0.05  -0.03     0.29  -0.01   0.05
    24   1     0.14   0.17   0.01     0.05  -0.25   0.07     0.03   0.04   0.14
    25   1    -0.27  -0.01   0.05     0.45  -0.01   0.30     0.04  -0.07  -0.10
    26   1    -0.14   0.05   0.11    -0.40  -0.29  -0.15    -0.20  -0.16  -0.23
    27   1     0.12   0.17   0.27     0.10  -0.27   0.15    -0.36  -0.27  -0.35
                     19                     20                     21
                      A                      A                      A
 Frequencies --    627.5373               730.1388               825.8333
 Red. masses --      3.2376                 1.4761                 2.4707
 Frc consts  --      0.7512                 0.4636                 0.9928
 IR Inten    --      0.2565                 6.0466                 3.2789
 RamAct Fr= 1--      4.5428                 7.0133                23.3500
  Dep-P Fr= 1--      0.1675                 0.1148                 0.4476
  Dep-U Fr= 1--      0.2869                 0.2060                 0.6184
 Alpha2 Fr= 1--      0.0672                 0.1184                 0.1445
 Beta2  Fr= 1--      0.2172                 0.2408                 2.4065
 AlphaG Fr= 1--      0.1210                 0.1333                 0.1344
 Gamma2 Fr= 1--     -0.3510                 0.4948                -3.5048
 Delta2 Fr= 1--      0.7286                 0.7325                 0.0515
 Raman1 Fr= 1--      18.171                 28.053                 93.400
 ROA1   Fr= 1--     -10.380                 70.942               -334.817
 CID1   Fr= 1--      -0.571                  2.529                 -3.585
 Raman2 Fr= 1--       2.607                  2.889                 28.878
 ROA2   Fr= 1--     -14.253                  6.015                -84.528
 CID2   Fr= 1--      -5.467                  2.082                 -2.927
 Raman3 Fr= 1--       5.214                  5.779                 57.757
 ROA3   Fr= 1--     -10.380                 70.942               -334.817
 CID3   Fr= 1--      -1.991                 12.276                 -5.797
 RC180  Fr= 1--      -0.426                 -0.588                  0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.18  -0.15     0.02   0.05  -0.04    -0.03  -0.01  -0.03
     2   6    -0.03   0.11  -0.02     0.01   0.01   0.01    -0.11  -0.02  -0.08
     3   6    -0.00  -0.13  -0.07     0.04  -0.06   0.07     0.13  -0.07   0.16
     4   6     0.04   0.04   0.00    -0.02  -0.01   0.01     0.07  -0.07  -0.01
     5   6    -0.00   0.08   0.06    -0.01   0.01  -0.03     0.07   0.08  -0.12
     6   6    -0.01  -0.09   0.02    -0.00  -0.01   0.01    -0.00   0.00   0.05
     7   8     0.06   0.03  -0.01    -0.01   0.00   0.01    -0.02   0.01   0.06
     8   6    -0.10   0.06   0.10    -0.04   0.02   0.05    -0.02  -0.01  -0.04
     9   6     0.04  -0.07   0.09     0.01  -0.08  -0.08    -0.03   0.03   0.00
    10   6    -0.02  -0.18   0.04     0.06   0.06  -0.05    -0.02   0.11   0.01
    11   6    -0.07  -0.04  -0.05     0.01  -0.00   0.01    -0.06  -0.04  -0.01
    12   1     0.05  -0.12  -0.14     0.01  -0.18   0.40    -0.02  -0.01  -0.16
    13   1     0.23  -0.09   0.17    -0.41  -0.03  -0.25     0.13  -0.04   0.07
    14   1     0.01  -0.21  -0.05     0.04  -0.19   0.10     0.14  -0.10   0.16
    15   1    -0.11  -0.20  -0.06    -0.03  -0.19   0.37     0.01   0.23  -0.23
    16   1     0.07  -0.16   0.12    -0.22   0.43  -0.11     0.08  -0.16  -0.03
    17   1     0.09   0.10  -0.09    -0.00   0.04  -0.06     0.08   0.02   0.06
    18   1     0.14   0.22  -0.22    -0.01   0.00  -0.02     0.12   0.20  -0.12
    19   1     0.11   0.18  -0.18     0.02   0.08  -0.09    -0.01  -0.17   0.19
    20   1    -0.01  -0.06   0.01    -0.03   0.02   0.05     0.07   0.00   0.03
    21   1    -0.19   0.03   0.19    -0.04   0.02   0.05     0.19  -0.08  -0.10
    22   1    -0.17   0.01   0.17    -0.05   0.03   0.07    -0.09   0.10   0.16
    23   1     0.18   0.12  -0.01    -0.10   0.03  -0.00    -0.13   0.21  -0.11
    24   1     0.05   0.03   0.08     0.00  -0.05  -0.01     0.14  -0.44   0.05
    25   1    -0.22  -0.03  -0.15    -0.01   0.01  -0.02    -0.12  -0.01  -0.12
    26   1     0.08   0.08   0.02     0.05   0.03   0.02     0.11   0.06   0.03
    27   1    -0.11   0.06  -0.11    -0.01   0.01  -0.02    -0.15   0.00  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --    860.4846               875.6582               894.8879
 Red. masses --      2.8209                 1.9591                 1.7260
 Frc consts  --      1.2306                 0.8851                 0.8144
 IR Inten    --      0.1594                 3.3053                 8.9442
 RamAct Fr= 1--      4.3520                15.4809                 4.8508
  Dep-P Fr= 1--      0.5100                 0.5859                 0.4274
  Dep-U Fr= 1--      0.6755                 0.7389                 0.5988
 Alpha2 Fr= 1--      0.0205                 0.0475                 0.0325
 Beta2  Fr= 1--      0.4899                 1.9064                 0.4841
 AlphaG Fr= 1--     -0.0263                 0.2836                 0.2238
 Gamma2 Fr= 1--      2.9207                 5.2519                 3.1286
 Delta2 Fr= 1--     -0.6121                -0.5221                 0.6409
 Raman1 Fr= 1--      17.408                 61.924                 19.403
 ROA1   Fr= 1--     260.803                487.478                320.855
 CID1   Fr= 1--      14.982                  7.872                 16.536
 Raman2 Fr= 1--       5.879                 22.877                  5.809
 ROA2   Fr= 1--      74.995                130.223                 69.960
 CID2   Fr= 1--      12.756                  5.692                 12.042
 Raman3 Fr= 1--      11.759                 45.753                 11.619
 ROA3   Fr= 1--     260.803                487.478                320.855
 CID3   Fr= 1--      22.180                 10.655                 27.615
 RC180  Fr= 1--       0.351                  0.478                  0.198
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.03  -0.01    -0.04  -0.00  -0.03     0.02   0.04  -0.01
     2   6     0.10  -0.04   0.04    -0.09  -0.01  -0.04     0.00   0.02   0.05
     3   6     0.02   0.12   0.09     0.03   0.00   0.05     0.04  -0.05   0.02
     4   6     0.08   0.06  -0.06    -0.01   0.10  -0.02    -0.04   0.06   0.02
     5   6     0.14  -0.07  -0.08     0.08  -0.11  -0.04     0.02  -0.07  -0.02
     6   6     0.02   0.02   0.06    -0.00   0.01   0.03    -0.02  -0.01   0.00
     7   8    -0.03   0.02   0.08    -0.02   0.01   0.03    -0.01   0.00  -0.00
     8   6    -0.05   0.03   0.08     0.01  -0.02  -0.06     0.06  -0.02  -0.02
     9   6    -0.05  -0.11  -0.12     0.08   0.08   0.09    -0.10  -0.09   0.03
    10   6    -0.12  -0.07   0.01    -0.00  -0.10  -0.04     0.01   0.12  -0.06
    11   6    -0.09  -0.01  -0.04    -0.04   0.02  -0.01    -0.00   0.02   0.02
    12   1    -0.08   0.05  -0.07     0.08   0.08   0.19    -0.06  -0.35  -0.35
    13   1    -0.10  -0.29  -0.11    -0.07   0.21   0.02     0.30  -0.04   0.18
    14   1     0.09   0.29   0.05     0.00  -0.06   0.07    -0.02  -0.33   0.08
    15   1     0.08   0.13  -0.14    -0.20  -0.28   0.06    -0.14   0.06  -0.15
    16   1    -0.14  -0.39  -0.13    -0.16   0.14  -0.06     0.25   0.20   0.14
    17   1    -0.05   0.07  -0.13     0.07   0.00   0.07    -0.01   0.01  -0.03
    18   1    -0.11  -0.16   0.10     0.12   0.20  -0.11    -0.01  -0.02  -0.00
    19   1     0.01   0.17  -0.18    -0.00  -0.15   0.16     0.02   0.09  -0.08
    20   1    -0.13   0.09   0.11     0.11  -0.03  -0.02    -0.01  -0.04  -0.08
    21   1    -0.09   0.07   0.06     0.18  -0.09  -0.09    -0.11   0.04   0.04
    22   1     0.01   0.02  -0.03    -0.06   0.06   0.13     0.10  -0.11  -0.16
    23   1    -0.01  -0.10  -0.01    -0.07  -0.21   0.08    -0.11  -0.10   0.07
    24   1     0.07   0.28  -0.19     0.01   0.50  -0.23    -0.01   0.34  -0.15
    25   1     0.02  -0.02  -0.00     0.13   0.01   0.06     0.14   0.03   0.05
    26   1    -0.11  -0.07  -0.08    -0.07  -0.08  -0.07     0.03  -0.03  -0.02
    27   1    -0.14  -0.10  -0.11    -0.08  -0.10  -0.07    -0.05  -0.06  -0.05
                     25                     26                     27
                      A                      A                      A
 Frequencies --    928.4926               947.4214               955.8181
 Red. masses --      2.0466                 2.0144                 1.8424
 Frc consts  --      1.0395                 1.0653                 0.9917
 IR Inten    --      5.7556                12.5946                12.4198
 RamAct Fr= 1--      8.5498                14.5358                 8.5984
  Dep-P Fr= 1--      0.7207                 0.3204                 0.6226
  Dep-U Fr= 1--      0.8377                 0.4853                 0.7674
 Alpha2 Fr= 1--      0.0043                 0.1401                 0.0200
 Beta2  Fr= 1--      1.1937                 1.1758                 1.0997
 AlphaG Fr= 1--      0.1435                 0.2721                 0.0120
 Gamma2 Fr= 1--     -1.9879                -1.7394                 0.2891
 Delta2 Fr= 1--     -0.2861                -0.8000                -0.3360
 Raman1 Fr= 1--      34.199                 58.143                 34.394
 ROA1   Fr= 1--    -199.995               -192.579                 17.000
 CID1   Fr= 1--      -5.848                 -3.312                  0.494
 Raman2 Fr= 1--      14.324                 14.110                 13.196
 ROA2   Fr= 1--     -45.421                -35.345                  9.626
 CID2   Fr= 1--      -3.171                 -2.505                  0.729
 Raman3 Fr= 1--      28.648                 28.219                 26.393
 ROA3   Fr= 1--    -199.995               -192.579                 17.000
 CID3   Fr= 1--      -6.981                 -6.824                  0.644
 RC180  Fr= 1--       0.675                 -0.029                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.03     0.03  -0.03  -0.03    -0.03   0.10   0.01
     2   6    -0.02  -0.04  -0.03     0.03  -0.07  -0.05    -0.06   0.00   0.07
     3   6     0.06  -0.08   0.10     0.00  -0.07  -0.05    -0.05  -0.03   0.00
     4   6    -0.00   0.05  -0.09    -0.02   0.03   0.05     0.01   0.00  -0.01
     5   6    -0.10  -0.05   0.15     0.04  -0.03  -0.05     0.03  -0.00  -0.02
     6   6     0.02  -0.02  -0.03    -0.06  -0.01  -0.01     0.05   0.02   0.02
     7   8     0.03  -0.01  -0.05    -0.01  -0.01  -0.02    -0.01   0.01   0.04
     8   6    -0.06  -0.01   0.00    -0.07   0.02   0.06     0.06  -0.09  -0.04
     9   6    -0.01   0.02  -0.06    -0.07   0.10  -0.09    -0.08   0.04  -0.07
    10   6    -0.01   0.07   0.06     0.11  -0.03   0.10     0.07  -0.05   0.08
    11   6     0.05   0.01  -0.04    -0.01   0.02   0.08    -0.02  -0.02  -0.06
    12   1    -0.03   0.19  -0.00    -0.12   0.44  -0.21    -0.08   0.05  -0.12
    13   1    -0.05  -0.18  -0.05    -0.01   0.01  -0.06    -0.05   0.21  -0.08
    14   1     0.26  -0.15   0.10    -0.09  -0.07  -0.04    -0.02  -0.04   0.01
    15   1     0.11   0.22  -0.11     0.13  -0.04   0.15     0.21  -0.02   0.25
    16   1     0.04  -0.20  -0.01     0.32   0.08   0.29     0.05  -0.02   0.08
    17   1     0.02   0.07  -0.05     0.04   0.21  -0.15    -0.08  -0.36   0.20
    18   1     0.00   0.03  -0.00    -0.07  -0.04   0.12     0.14   0.07  -0.27
    19   1    -0.01  -0.00   0.02    -0.09  -0.03   0.09     0.21   0.16  -0.29
    20   1    -0.02   0.09   0.14    -0.10   0.08   0.12    -0.15   0.14   0.11
    21   1     0.19  -0.06  -0.12     0.01   0.02  -0.01     0.16   0.00  -0.24
    22   1    -0.08   0.14   0.16    -0.06   0.06   0.08     0.21  -0.01  -0.23
    23   1     0.14  -0.03  -0.05    -0.06   0.00   0.05     0.00  -0.04  -0.00
    24   1    -0.36   0.42   0.01     0.18   0.11  -0.10    -0.00  -0.04  -0.01
    25   1    -0.08  -0.04   0.05     0.24   0.08   0.03    -0.15  -0.05  -0.03
    26   1    -0.19  -0.04  -0.03     0.23   0.02   0.03    -0.16  -0.02  -0.04
    27   1     0.22   0.07   0.21    -0.19  -0.10  -0.18     0.07   0.03   0.07
                     28                     29                     30
                      A                      A                      A
 Frequencies --    960.4879               981.5576               996.4541
 Red. masses --      1.8422                 1.6780                 1.7074
 Frc consts  --      1.0013                 0.9525                 0.9988
 IR Inten    --     32.0957                 2.7159                 3.8398
 RamAct Fr= 1--     27.9418                 2.6611                16.8724
  Dep-P Fr= 1--      0.2328                 0.5220                 0.0850
  Dep-U Fr= 1--      0.3777                 0.6859                 0.1567
 Alpha2 Fr= 1--      0.3473                 0.0118                 0.3064
 Beta2  Fr= 1--      1.7589                 0.3042                 0.4405
 AlphaG Fr= 1--     -0.5214                 0.0643                -0.0573
 Gamma2 Fr= 1--     -5.2392                -1.0700                 0.8635
 Delta2 Fr= 1--     -2.5273                -0.3082                 0.8462
 Raman1 Fr= 1--     111.767                 10.644                 67.490
 ROA1   Fr= 1--    -583.838               -112.577                109.979
 CID1   Fr= 1--      -5.224                -10.576                  1.630
 Raman2 Fr= 1--      21.107                  3.651                  5.286
 ROA2   Fr= 1--    -105.523                -23.213                 13.956
 CID2   Fr= 1--      -4.999                 -6.359                  2.640
 Raman3 Fr= 1--      42.214                  7.301                 10.573
 ROA3   Fr= 1--    -583.838               -112.577                109.979
 CID3   Fr= 1--     -13.830                -15.419                 10.402
 RC180  Fr= 1--      -0.245                  0.372                 -0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07  -0.04    -0.03   0.00   0.10    -0.02  -0.02  -0.04
     2   6    -0.01  -0.06   0.03    -0.03   0.11   0.00    -0.03   0.02   0.02
     3   6     0.08   0.07   0.02    -0.03  -0.05  -0.00     0.07   0.04   0.09
     4   6    -0.00  -0.01   0.01     0.04   0.01  -0.03     0.03  -0.00  -0.04
     5   6    -0.04   0.02   0.03     0.03  -0.01   0.01    -0.03   0.01   0.05
     6   6    -0.10  -0.03  -0.04    -0.06  -0.02  -0.02    -0.04  -0.01  -0.02
     7   8     0.02  -0.02  -0.07     0.00  -0.01  -0.04     0.01  -0.01  -0.04
     8   6    -0.00  -0.08   0.04     0.02   0.02  -0.09     0.07   0.05  -0.02
     9   6     0.03  -0.02   0.02     0.03  -0.03  -0.04    -0.11   0.00  -0.06
    10   6    -0.05  -0.02  -0.05    -0.02   0.01   0.05     0.02  -0.09   0.03
    11   6     0.02   0.04   0.11    -0.02   0.03   0.08     0.01   0.01   0.03
    12   1     0.02   0.01   0.06     0.02  -0.01   0.12    -0.09  -0.19  -0.21
    13   1    -0.01  -0.04   0.01    -0.10  -0.20  -0.07    -0.01   0.42  -0.08
    14   1     0.14   0.20  -0.02     0.08  -0.12   0.01     0.22   0.19   0.05
    15   1    -0.13  -0.03  -0.15     0.12   0.13   0.01     0.15  -0.09   0.22
    16   1    -0.08  -0.04  -0.07    -0.04  -0.18  -0.04    -0.15  -0.10  -0.09
    17   1     0.02  -0.12   0.09    -0.15  -0.35   0.16     0.09   0.12  -0.00
    18   1     0.14   0.16  -0.22    -0.03  -0.16  -0.03     0.05   0.15  -0.02
    19   1     0.12   0.02  -0.08     0.10   0.14  -0.23    -0.06  -0.14   0.18
    20   1    -0.31   0.26   0.26     0.27  -0.15  -0.15     0.14  -0.21  -0.27
    21   1     0.13   0.05  -0.24     0.09  -0.10   0.02    -0.28   0.05   0.25
    22   1     0.21   0.05  -0.23    -0.14   0.04   0.20     0.00  -0.18  -0.08
    23   1     0.05  -0.01   0.02     0.20   0.04  -0.03     0.07  -0.02  -0.03
    24   1     0.06  -0.08   0.06     0.14   0.11  -0.03    -0.07  -0.01   0.06
    25   1     0.29   0.10   0.04     0.25   0.08   0.02     0.09   0.03   0.02
    26   1     0.31   0.05   0.07     0.25   0.02   0.04     0.09   0.01   0.02
    27   1    -0.15  -0.07  -0.15    -0.20  -0.10  -0.19    -0.02  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.8488              1037.4578              1048.7243
 Red. masses --      1.3006                 1.6763                 1.5740
 Frc consts  --      0.8064                 1.0630                 1.0199
 IR Inten    --     19.3907                 9.2872                 3.2106
 RamAct Fr= 1--      4.7359                 9.0540                26.8521
  Dep-P Fr= 1--      0.1416                 0.3216                 0.2182
  Dep-U Fr= 1--      0.2481                 0.4867                 0.3583
 Alpha2 Fr= 1--      0.0748                 0.0870                 0.3473
 Beta2  Fr= 1--      0.1958                 0.7344                 1.6035
 AlphaG Fr= 1--     -0.8677                 0.1852                 0.0345
 Gamma2 Fr= 1--     -3.5865                 1.1438                -0.9770
 Delta2 Fr= 1--     -0.1632                 0.3385                 2.6833
 Raman1 Fr= 1--      18.944                 36.216                107.408
 ROA1   Fr= 1--    -349.528                120.640                 -7.926
 CID1   Fr= 1--     -18.451                  3.331                 -0.074
 Raman2 Fr= 1--       2.350                  8.813                 19.242
 ROA2   Fr= 1--     -84.772                 24.744                -44.915
 CID2   Fr= 1--     -36.071                  2.808                 -2.334
 Raman3 Fr= 1--       4.700                 17.626                 38.484
 ROA3   Fr= 1--    -349.528                120.640                 -7.926
 CID3   Fr= 1--     -74.364                  6.844                 -0.206
 RC180  Fr= 1--      -0.504                 -0.027                 -0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.02     0.05   0.02   0.04     0.09   0.01  -0.05
     2   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.03  -0.06   0.05
     3   6    -0.04  -0.03  -0.03     0.06   0.09   0.02    -0.11  -0.02  -0.00
     4   6     0.01  -0.05   0.01    -0.00  -0.06   0.03     0.05  -0.00  -0.06
     5   6     0.02  -0.05   0.00    -0.02  -0.03   0.02     0.03   0.01   0.01
     6   6    -0.01   0.06  -0.02    -0.03   0.10  -0.04    -0.00   0.01  -0.01
     7   8    -0.00  -0.01   0.01     0.01  -0.02   0.00    -0.00  -0.01  -0.01
     8   6     0.03   0.00   0.04    -0.04  -0.01  -0.06    -0.02  -0.05  -0.03
     9   6     0.04   0.00  -0.00    -0.06  -0.00   0.01    -0.01   0.02   0.07
    10   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.00   0.05   0.01
    11   6     0.00  -0.06   0.02     0.03  -0.08   0.02    -0.02  -0.01   0.03
    12   1     0.04  -0.01   0.10    -0.05  -0.00  -0.15     0.04  -0.32   0.03
    13   1    -0.04  -0.01  -0.03     0.06   0.07   0.04     0.06   0.42   0.05
    14   1    -0.07  -0.05  -0.03     0.07   0.08   0.03    -0.03  -0.03  -0.01
    15   1     0.14   0.14   0.04    -0.19  -0.23  -0.03     0.21   0.14   0.14
    16   1    -0.08  -0.09  -0.07     0.11   0.15   0.11    -0.24  -0.07  -0.21
    17   1     0.06  -0.00   0.07    -0.09  -0.03  -0.07     0.02   0.31  -0.26
    18   1     0.10   0.15  -0.10    -0.11  -0.21   0.10    -0.14  -0.13   0.21
    19   1     0.00  -0.14   0.13     0.02   0.19  -0.20    -0.11   0.12  -0.03
    20   1    -0.12   0.02  -0.01     0.15  -0.02   0.03    -0.01   0.07   0.11
    21   1    -0.16   0.09   0.06     0.22  -0.12  -0.10     0.21  -0.08  -0.16
    22   1     0.12  -0.10  -0.19    -0.15   0.13   0.24    -0.01   0.08   0.06
    23   1    -0.03   0.55  -0.17    -0.15   0.27  -0.08     0.24  -0.02  -0.04
    24   1    -0.02   0.47  -0.16    -0.12   0.18  -0.04     0.09  -0.01   0.02
    25   1    -0.15  -0.01  -0.15    -0.27  -0.04  -0.21     0.04   0.02  -0.03
    26   1     0.17   0.12   0.11     0.20   0.18   0.17     0.11   0.02   0.03
    27   1    -0.05   0.10  -0.06     0.02   0.19  -0.01    -0.10  -0.02  -0.09
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1055.1060              1153.6606              1182.6438
 Red. masses --      1.5960                 1.6853                 1.6882
 Frc consts  --      1.0468                 1.3216                 1.3912
 IR Inten    --      2.8316                22.1074                41.9542
 RamAct Fr= 1--      4.9436                54.9796                12.1308
  Dep-P Fr= 1--      0.7433                 0.4115                 0.6360
  Dep-U Fr= 1--      0.8528                 0.5831                 0.7775
 Alpha2 Fr= 1--      0.0006                 0.3907                 0.0250
 Beta2  Fr= 1--      0.7026                 5.3427                 1.5720
 AlphaG Fr= 1--     -0.0724                 0.8177                -0.0768
 Gamma2 Fr= 1--      0.3479                 4.6941                -0.1738
 Delta2 Fr= 1--     -0.2053                -0.2630                 0.7392
 Raman1 Fr= 1--      19.775                219.918                 48.523
 ROA1   Fr= 1--      26.830                442.218                  6.969
 CID1   Fr= 1--       1.357                  2.011                  0.144
 Raman2 Fr= 1--       8.432                 64.112                 18.864
 ROA2   Fr= 1--       9.993                114.763                -10.085
 CID2   Fr= 1--       1.185                  1.790                 -0.535
 Raman3 Fr= 1--      16.863                128.224                 37.728
 ROA3   Fr= 1--      26.830                442.218                  6.969
 CID3   Fr= 1--       1.591                  3.449                  0.185
 RC180  Fr= 1--       0.706                  0.166                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01   0.01     0.04   0.01   0.06    -0.01  -0.01  -0.03
     2   6    -0.01  -0.00   0.01    -0.06  -0.00  -0.10     0.02   0.02   0.07
     3   6     0.01   0.04  -0.00     0.09  -0.12  -0.03     0.02   0.03  -0.05
     4   6     0.02  -0.11   0.03    -0.05   0.03   0.05    -0.05  -0.00   0.04
     5   6    -0.01   0.05  -0.01    -0.00  -0.02  -0.02    -0.00  -0.01  -0.05
     6   6     0.02  -0.14   0.04    -0.04  -0.01   0.01    -0.16  -0.02   0.01
     7   8    -0.00   0.03  -0.01     0.00   0.01   0.02     0.02   0.02   0.05
     8   6    -0.01  -0.01  -0.02     0.01   0.00   0.03    -0.02  -0.01  -0.03
     9   6    -0.02   0.00   0.01     0.00   0.06  -0.01     0.00  -0.02  -0.01
    10   6     0.01  -0.02  -0.01     0.01   0.02   0.06    -0.04  -0.01  -0.00
    11   6    -0.02   0.10  -0.03     0.03   0.00  -0.02     0.08  -0.00  -0.05
    12   1    -0.01  -0.04  -0.04     0.07  -0.41   0.10    -0.00   0.02   0.02
    13   1     0.02   0.09   0.01    -0.03   0.16  -0.03    -0.02   0.07  -0.03
    14   1     0.00   0.01   0.01     0.03   0.60  -0.19     0.39  -0.17  -0.04
    15   1    -0.02  -0.05   0.02    -0.12   0.03  -0.17     0.17   0.11   0.08
    16   1     0.01   0.04   0.01    -0.13  -0.14  -0.11     0.01  -0.06   0.02
    17   1    -0.03   0.01  -0.03    -0.12  -0.07  -0.05     0.06   0.06   0.00
    18   1    -0.03  -0.07   0.03    -0.09  -0.22   0.08     0.02   0.09   0.00
    19   1     0.00   0.06  -0.06     0.00   0.17  -0.16    -0.02  -0.07   0.08
    20   1     0.03   0.01   0.02    -0.10   0.02  -0.01     0.08   0.00   0.03
    21   1     0.08  -0.04  -0.04    -0.10   0.07   0.02     0.11  -0.07  -0.04
    22   1    -0.03   0.04   0.06     0.05  -0.04  -0.08    -0.04   0.06   0.07
    23   1    -0.12   0.65  -0.21    -0.10   0.03   0.05     0.16   0.03   0.04
    24   1    -0.06   0.24  -0.07     0.13   0.09  -0.06     0.62   0.06  -0.08
    25   1     0.29   0.03   0.25    -0.04  -0.02   0.03    -0.10  -0.06   0.07
    26   1    -0.26  -0.21  -0.20    -0.06   0.01  -0.00    -0.12   0.06   0.04
    27   1     0.04  -0.21   0.07     0.10   0.04   0.09     0.30   0.14   0.26
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.5624              1215.3531              1233.3758
 Red. masses --      1.8657                 1.8298                 1.5772
 Frc consts  --      1.5923                 1.5924                 1.4136
 IR Inten    --     17.6000                20.5364                 3.7572
 RamAct Fr= 1--      8.2662                 3.9691                44.1014
  Dep-P Fr= 1--      0.2820                 0.5806                 0.4183
  Dep-U Fr= 1--      0.4399                 0.7346                 0.5898
 Alpha2 Fr= 1--      0.0894                 0.0126                 0.3057
 Beta2  Fr= 1--      0.6060                 0.4860                 4.3353
 AlphaG Fr= 1--      0.0971                -0.0390                 0.1637
 Gamma2 Fr= 1--      1.1208                 3.5360                 0.3115
 Delta2 Fr= 1--     -0.7614                 1.1524                 0.7334
 Raman1 Fr= 1--      33.065                 15.877                176.406
 ROA1   Fr= 1--      83.235                376.331                 53.368
 CID1   Fr= 1--       2.517                 23.704                  0.303
 Raman2 Fr= 1--       7.272                  5.832                 52.023
 ROA2   Fr= 1--      32.992                 75.644                  1.608
 CID2   Fr= 1--       4.537                 12.971                  0.031
 Raman3 Fr= 1--      14.545                 11.664                104.047
 ROA3   Fr= 1--      83.235                376.331                 53.368
 CID3   Fr= 1--       5.723                 32.265                  0.513
 RC180  Fr= 1--      -0.120                  0.469                  0.180
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.03  -0.00     0.01   0.03   0.04     0.04  -0.01   0.03
     2   6     0.18  -0.04   0.05    -0.02  -0.07  -0.09    -0.07   0.03  -0.07
     3   6     0.04  -0.09  -0.04    -0.05  -0.02   0.09     0.09   0.02  -0.07
     4   6    -0.02   0.03   0.03     0.06  -0.01  -0.07    -0.06   0.01   0.07
     5   6    -0.01  -0.01  -0.00     0.01  -0.00  -0.01    -0.01  -0.00   0.00
     6   6     0.04   0.00  -0.00    -0.12  -0.02   0.00     0.08   0.01   0.00
     7   8    -0.01  -0.00  -0.00     0.02   0.01   0.01    -0.01  -0.00  -0.01
     8   6    -0.08   0.03  -0.05     0.02   0.03   0.03     0.01  -0.01   0.02
     9   6    -0.05  -0.03   0.05    -0.03  -0.03   0.09    -0.00  -0.04   0.07
    10   6    -0.02   0.04  -0.05     0.06   0.02  -0.08    -0.04  -0.01  -0.05
    11   6    -0.01   0.00   0.01     0.04   0.00  -0.02    -0.02  -0.00   0.01
    12   1    -0.04  -0.02  -0.12    -0.09   0.47  -0.21    -0.05   0.33  -0.12
    13   1     0.11   0.17   0.08     0.15  -0.15   0.18     0.06  -0.00   0.09
    14   1    -0.12   0.47  -0.16    -0.32   0.16   0.06     0.39  -0.24  -0.03
    15   1     0.28   0.12   0.23     0.09  -0.08   0.21     0.46   0.15   0.37
    16   1    -0.10   0.03  -0.11    -0.22   0.16  -0.23    -0.22  -0.05  -0.19
    17   1     0.06  -0.13   0.19    -0.10  -0.13   0.02    -0.08  -0.02  -0.07
    18   1     0.13   0.17  -0.20     0.01  -0.09  -0.06    -0.07  -0.14   0.08
    19   1     0.14  -0.11   0.01     0.07   0.11  -0.13    -0.04   0.09  -0.05
    20   1     0.17   0.00   0.06    -0.05  -0.03  -0.07    -0.08   0.02  -0.00
    21   1     0.14  -0.13   0.02    -0.15   0.06   0.11    -0.05   0.05  -0.03
    22   1    -0.21   0.16   0.29    -0.01  -0.08  -0.02     0.06  -0.02  -0.08
    23   1    -0.12   0.01   0.03     0.22   0.02  -0.08    -0.18  -0.03   0.08
    24   1    -0.10   0.02  -0.01     0.17   0.04  -0.03    -0.10  -0.02   0.01
    25   1     0.01   0.01  -0.01    -0.02  -0.03   0.06     0.00   0.02  -0.04
    26   1     0.01  -0.02  -0.01    -0.03   0.05   0.03     0.01  -0.03  -0.02
    27   1    -0.06  -0.03  -0.05     0.16   0.07   0.15    -0.09  -0.04  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1244.3785              1261.9541              1277.2339
 Red. masses --      1.8557                 1.4447                 1.4974
 Frc consts  --      1.6930                 1.3556                 1.4393
 IR Inten    --      2.4328                35.5767                 1.1178
 RamAct Fr= 1--      2.6713                14.7753                11.3927
  Dep-P Fr= 1--      0.3283                 0.3004                 0.3160
  Dep-U Fr= 1--      0.4944                 0.4620                 0.4803
 Alpha2 Fr= 1--      0.0251                 0.1514                 0.1113
 Beta2  Fr= 1--      0.2201                 1.1378                 0.9119
 AlphaG Fr= 1--      0.0692                 0.0067                 0.0871
 Gamma2 Fr= 1--      0.4015                 0.3893                 2.0815
 Delta2 Fr= 1--     -0.0793                -1.1555                 0.9697
 Raman1 Fr= 1--      10.685                 59.101                 45.571
 ROA1   Fr= 1--      36.002                  0.394                230.860
 CID1   Fr= 1--       3.369                  0.007                  5.066
 Raman2 Fr= 1--       2.641                 13.653                 10.943
 ROA2   Fr= 1--      10.270                 18.587                 42.199
 CID2   Fr= 1--       3.888                  1.361                  3.856
 Raman3 Fr= 1--       5.282                 27.307                 21.886
 ROA3   Fr= 1--      36.002                  0.394                230.860
 CID3   Fr= 1--       6.816                  0.014                 10.548
 RC180  Fr= 1--      -0.011                 -0.076                 -0.039
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.06   0.00    -0.00  -0.00  -0.02     0.03  -0.01  -0.02
     2   6     0.07   0.18  -0.05    -0.01   0.00   0.05    -0.08   0.03   0.06
     3   6    -0.01  -0.01   0.04    -0.06  -0.02  -0.00    -0.02  -0.07   0.06
     4   6     0.02   0.00  -0.02    -0.07  -0.01   0.02    -0.02  -0.01  -0.02
     5   6     0.01   0.00   0.00    -0.03  -0.01  -0.00    -0.01  -0.00   0.01
     6   6    -0.03  -0.01   0.00     0.09   0.02   0.00     0.04   0.01   0.00
     7   8     0.01   0.00  -0.00    -0.02  -0.00   0.01    -0.01  -0.00  -0.00
     8   6    -0.03  -0.07   0.02     0.00   0.00  -0.01     0.03  -0.01  -0.01
     9   6    -0.07   0.10   0.01    -0.04   0.00  -0.01     0.04   0.00  -0.01
    10   6     0.03  -0.06  -0.04     0.12   0.02   0.02    -0.07  -0.01  -0.11
    11   6     0.01   0.00  -0.00    -0.03  -0.00   0.01    -0.01   0.00   0.01
    12   1    -0.00  -0.44  -0.10    -0.06   0.17  -0.09     0.03   0.11   0.08
    13   1     0.12  -0.54   0.17     0.09  -0.32   0.09    -0.03  -0.16  -0.01
    14   1    -0.08   0.03   0.04     0.47   0.20  -0.09     0.13   0.53  -0.08
    15   1     0.17  -0.10   0.27    -0.31  -0.17  -0.20     0.21   0.05   0.21
    16   1    -0.11   0.04  -0.09    -0.31   0.03  -0.29     0.47   0.22   0.36
    17   1     0.04   0.01   0.03     0.04   0.04  -0.00     0.01   0.09  -0.08
    18   1    -0.05  -0.02   0.11     0.01   0.06   0.01    -0.02   0.03   0.07
    19   1    -0.09  -0.14   0.18    -0.02  -0.03   0.04    -0.08   0.04   0.01
    20   1    -0.13   0.13   0.19     0.05  -0.02  -0.02     0.01  -0.03  -0.05
    21   1     0.11   0.03  -0.21     0.02  -0.02   0.01    -0.01   0.01  -0.01
    22   1     0.12   0.13  -0.07    -0.00  -0.01  -0.01     0.04  -0.04  -0.06
    23   1     0.01  -0.01  -0.02     0.26   0.08   0.01     0.22   0.06  -0.03
    24   1    -0.04   0.00  -0.00     0.25   0.05  -0.01     0.12   0.05  -0.00
    25   1     0.00  -0.01   0.02    -0.01   0.02  -0.05    -0.01   0.01  -0.03
    26   1    -0.00   0.02   0.01    -0.00  -0.05  -0.03    -0.00  -0.03  -0.02
    27   1     0.04   0.02   0.03    -0.10  -0.05  -0.10    -0.05  -0.02  -0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1291.4346              1307.3593              1339.0706
 Red. masses --      2.0109                 1.7713                 1.4373
 Frc consts  --      1.9760                 1.7837                 1.5184
 IR Inten    --     11.9040                24.3228                 0.6940
 RamAct Fr= 1--      7.4363                 1.9894                34.2130
  Dep-P Fr= 1--      0.3706                 0.5203                 0.2791
  Dep-U Fr= 1--      0.5408                 0.6845                 0.4364
 Alpha2 Fr= 1--      0.0610                 0.0089                 0.3732
 Beta2  Fr= 1--      0.6703                 0.2269                 2.4887
 AlphaG Fr= 1--      0.0583                 0.0003                -0.0483
 Gamma2 Fr= 1--     -3.2820                -0.2099                -0.6005
 Delta2 Fr= 1--     -3.6525                -0.2935                 0.2682
 Raman1 Fr= 1--      29.745                  7.958                136.852
 ROA1   Fr= 1--    -431.955                -29.548                -49.068
 CID1   Fr= 1--     -14.522                 -3.713                 -0.359
 Raman2 Fr= 1--       8.044                  2.723                 29.864
 ROA2   Fr= 1--     -49.548                 -2.690                -16.558
 CID2   Fr= 1--      -6.160                 -0.988                 -0.554
 Raman3 Fr= 1--      16.087                  5.447                 59.729
 ROA3   Fr= 1--    -431.955                -29.548                -49.068
 CID3   Fr= 1--     -26.851                 -5.425                 -0.822
 RC180  Fr= 1--       0.082                  0.369                 -0.127
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.07  -0.02     0.02   0.01  -0.04     0.01   0.00  -0.01
     2   6    -0.03   0.20   0.05    -0.10  -0.06   0.16    -0.02  -0.00   0.03
     3   6     0.01  -0.06  -0.01     0.04  -0.02  -0.08     0.04   0.01  -0.01
     4   6     0.03   0.01  -0.01     0.05   0.00   0.02     0.01   0.04   0.12
     5   6     0.02   0.00   0.01     0.05   0.01   0.01    -0.02  -0.04  -0.13
     6   6    -0.04  -0.01   0.00    -0.07  -0.01  -0.00    -0.03  -0.00   0.00
     7   8     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00   0.00
     8   6     0.00  -0.07  -0.01     0.02   0.03  -0.04     0.00   0.00  -0.01
     9   6     0.01  -0.16  -0.00     0.01   0.06  -0.03    -0.00   0.00  -0.01
    10   6     0.04   0.03   0.03     0.01   0.01   0.01    -0.00  -0.00   0.01
    11   6     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.02   0.00  -0.00
    12   1    -0.09   0.53  -0.12     0.01   0.05   0.06    -0.01   0.02   0.03
    13   1    -0.09   0.35  -0.12     0.05  -0.56   0.08     0.02  -0.05   0.01
    14   1    -0.24   0.27  -0.06    -0.18   0.10  -0.09    -0.12  -0.00   0.01
    15   1    -0.20  -0.06  -0.12     0.09   0.03   0.07     0.02   0.02  -0.00
    16   1    -0.08  -0.08  -0.10    -0.19  -0.05  -0.17    -0.05  -0.02  -0.03
    17   1     0.07   0.13  -0.05     0.04   0.16  -0.10     0.01   0.01  -0.01
    18   1    -0.04   0.07   0.16     0.04   0.11   0.01    -0.01   0.02   0.04
    19   1    -0.14  -0.04   0.10    -0.05   0.06  -0.04    -0.04   0.01   0.01
    20   1    -0.05   0.08   0.11     0.14  -0.11  -0.13     0.02  -0.01  -0.01
    21   1     0.08   0.02  -0.17     0.07  -0.07   0.05     0.02  -0.01   0.00
    22   1     0.10   0.12  -0.04    -0.03  -0.10  -0.03    -0.01  -0.01  -0.00
    23   1    -0.21  -0.01  -0.01    -0.52  -0.06   0.01     0.70   0.16   0.12
    24   1    -0.14   0.01   0.00    -0.22  -0.03   0.02    -0.60  -0.14  -0.11
    25   1     0.02  -0.01   0.03     0.03  -0.02   0.05    -0.02  -0.02   0.03
    26   1     0.01   0.03   0.02     0.02   0.05   0.03    -0.02   0.03   0.02
    27   1     0.05   0.02   0.05     0.07   0.04   0.07     0.03   0.01   0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1377.9735              1392.4718              1405.9125
 Red. masses --      1.3209                 1.5796                 1.2727
 Frc consts  --      1.4777                 1.8046                 1.4822
 IR Inten    --      3.9951                96.3392                 7.9052
 RamAct Fr= 1--      1.9718                 3.9748                 0.8166
  Dep-P Fr= 1--      0.6331                 0.2115                 0.4525
  Dep-U Fr= 1--      0.7753                 0.3491                 0.6230
 Alpha2 Fr= 1--      0.0042                 0.0524                 0.0050
 Beta2  Fr= 1--      0.2548                 0.2313                 0.0848
 AlphaG Fr= 1--      0.0119                 0.0413                -0.0123
 Gamma2 Fr= 1--      0.1480                 0.5765                -0.3767
 Delta2 Fr= 1--      0.1970                -0.0159                -0.0553
 Raman1 Fr= 1--       7.887                 15.899                  3.267
 ROA1   Fr= 1--      20.509                 54.833                -37.933
 CID1   Fr= 1--       2.600                  3.449                -11.613
 Raman2 Fr= 1--       3.058                  2.775                  1.018
 ROA2   Fr= 1--       1.975                 13.963                 -8.598
 CID2   Fr= 1--       0.646                  5.032                 -8.450
 Raman3 Fr= 1--       6.115                  5.550                  2.035
 ROA3   Fr= 1--      20.509                 54.833                -37.933
 CID3   Fr= 1--       3.354                  9.880                -18.639
 RC180  Fr= 1--       0.551                 -0.302                  0.246
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00    -0.00   0.01  -0.00     0.03   0.06  -0.06
     2   6     0.02  -0.01  -0.03     0.02  -0.01  -0.03    -0.02  -0.01   0.03
     3   6    -0.09  -0.02   0.01    -0.11  -0.02   0.01     0.02   0.00  -0.01
     4   6     0.02   0.01   0.02     0.05   0.01   0.02    -0.00  -0.00  -0.00
     5   6     0.06   0.01  -0.01     0.08   0.01  -0.01    -0.01   0.00   0.00
     6   6    -0.02  -0.00   0.01    -0.10  -0.02   0.00     0.00   0.00  -0.00
     7   8     0.00  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     8   6     0.00   0.00   0.01     0.00  -0.00   0.00     0.08  -0.04  -0.08
     9   6     0.00  -0.00   0.01     0.00  -0.00   0.01     0.00   0.00  -0.01
    10   6     0.01   0.00  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    11   6    -0.08  -0.03  -0.06     0.11   0.04   0.06    -0.00  -0.00  -0.00
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.02     0.00   0.02   0.02
    13   1     0.02   0.05   0.01     0.02   0.05   0.01     0.01  -0.05   0.00
    14   1     0.48   0.07  -0.05     0.50   0.08  -0.05    -0.08   0.01  -0.01
    15   1    -0.04  -0.01  -0.04    -0.04  -0.01  -0.04     0.03   0.03  -0.02
    16   1     0.06   0.08   0.05     0.06   0.08   0.05    -0.03   0.02  -0.01
    17   1    -0.01  -0.06   0.03    -0.01  -0.07   0.04    -0.00  -0.31   0.12
    18   1    -0.03  -0.05  -0.01    -0.04  -0.06  -0.00    -0.23  -0.22   0.16
    19   1     0.03  -0.04   0.03     0.03  -0.05   0.05    -0.03  -0.16   0.32
    20   1    -0.02   0.02   0.02    -0.02   0.02   0.02    -0.25   0.31   0.17
    21   1    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.40   0.04   0.21
    22   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.16   0.11   0.41
    23   1    -0.12  -0.01   0.02    -0.22  -0.02   0.02    -0.02   0.01  -0.01
    24   1    -0.31  -0.05   0.01    -0.35  -0.06   0.01     0.04   0.01   0.00
    25   1     0.37  -0.07   0.28    -0.38   0.04  -0.20     0.01   0.00   0.00
    26   1     0.30   0.33   0.15    -0.33  -0.26  -0.10     0.01   0.00   0.00
    27   1     0.19   0.13   0.31    -0.13  -0.11  -0.27     0.00   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1423.3862              1464.8760              1474.3419
 Red. masses --      1.2281                 1.0593                 1.0480
 Frc consts  --      1.4660                 1.3392                 1.3421
 IR Inten    --      3.4443                15.0515                 9.1524
 RamAct Fr= 1--      0.9357                 8.1043                 4.8145
  Dep-P Fr= 1--      0.7438                 0.3660                 0.7495
  Dep-U Fr= 1--      0.8531                 0.5358                 0.8568
 Alpha2 Fr= 1--      0.0001                 0.0675                 0.0000
 Beta2  Fr= 1--      0.1330                 0.7238                 0.6875
 AlphaG Fr= 1--     -0.0001                 0.0188                 0.0019
 Gamma2 Fr= 1--     -0.0811                 0.3498                -0.0492
 Delta2 Fr= 1--     -0.0546                 0.0916                 0.0585
 Raman1 Fr= 1--       3.743                 32.417                 19.258
 ROA1   Fr= 1--      -9.530                 36.513                 -2.850
 CID1   Fr= 1--      -2.546                  1.126                 -0.148
 Raman2 Fr= 1--       1.596                  8.685                  8.250
 ROA2   Fr= 1--      -1.508                  7.662                 -1.648
 CID2   Fr= 1--      -0.945                  0.882                 -0.200
 Raman3 Fr= 1--       3.193                 17.371                 16.500
 ROA3   Fr= 1--      -9.530                 36.513                 -2.850
 CID3   Fr= 1--      -2.985                  2.102                 -0.173
 RC180  Fr= 1--       0.706                  0.072                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.08  -0.07    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.01   0.01    -0.00   0.00   0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.00    -0.00   0.00   0.01    -0.00   0.01  -0.00
     6   6     0.00   0.00  -0.00     0.01   0.01   0.02     0.00  -0.02   0.01
     7   8    -0.00   0.00   0.00    -0.00  -0.01  -0.02    -0.00   0.00  -0.00
     8   6    -0.06   0.04   0.05     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.01   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.05  -0.00  -0.03     0.01  -0.05   0.02
    12   1    -0.00   0.03  -0.06     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1    -0.06   0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1    -0.07   0.02  -0.00    -0.02  -0.00   0.00    -0.00   0.00  -0.00
    15   1    -0.01  -0.01   0.02     0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.01  -0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.01  -0.37   0.15     0.01   0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.29  -0.32   0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    19   1     0.01  -0.23   0.40     0.01  -0.00  -0.00     0.00  -0.00   0.00
    20   1     0.20  -0.24  -0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   1     0.34  -0.06  -0.13     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22   1     0.10  -0.13  -0.32    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00   0.01  -0.01    -0.00  -0.00  -0.01    -0.00   0.01  -0.00
    24   1     0.03   0.01  -0.00     0.05   0.01   0.01     0.00  -0.01   0.00
    25   1     0.00   0.00  -0.00    -0.16  -0.23   0.56     0.45   0.09  -0.15
    26   1     0.01  -0.00  -0.00    -0.27   0.44   0.35    -0.47   0.02   0.12
    27   1     0.00   0.00   0.00    -0.21  -0.15  -0.37    -0.12   0.68  -0.21
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.1675              1485.6669              1492.5499
 Red. masses --      1.0673                 1.0452                 1.0650
 Frc consts  --      1.3833                 1.3593                 1.3979
 IR Inten    --      1.5335                 0.6249                 6.0465
 RamAct Fr= 1--      5.3685                 7.6669                 5.6662
  Dep-P Fr= 1--      0.7003                 0.7358                 0.7486
  Dep-U Fr= 1--      0.8238                 0.8478                 0.8562
 Alpha2 Fr= 1--      0.0046                 0.0019                 0.0001
 Beta2  Fr= 1--      0.7370                 1.0834                 0.8086
 AlphaG Fr= 1--     -0.0223                 0.0023                 0.0021
 Gamma2 Fr= 1--     -1.4200                -0.0370                 1.7400
 Delta2 Fr= 1--     -0.4894                 0.3150                 0.8475
 Raman1 Fr= 1--      21.474                 30.668                 22.665
 ROA1   Fr= 1--    -151.985                  6.526                194.161
 CID1   Fr= 1--      -7.078                  0.213                  8.567
 Raman2 Fr= 1--       8.845                 13.000                  9.703
 ROA2   Fr= 1--     -30.166                 -3.409                 34.981
 CID2   Fr= 1--      -3.411                 -0.262                  3.605
 Raman3 Fr= 1--      17.689                 26.001                 19.406
 ROA3   Fr= 1--    -151.985                  6.526                194.161
 CID3   Fr= 1--      -8.592                  0.251                 10.005
 RC180  Fr= 1--       0.648                  0.696                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.04  -0.00  -0.02    -0.02   0.02   0.02
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00    -0.01   0.01   0.02
     3   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.01  -0.02   0.01     0.03   0.00   0.03    -0.00  -0.02   0.00
     9   6    -0.02  -0.00  -0.04     0.00   0.00   0.00     0.02   0.00   0.02
    10   6    -0.00   0.04  -0.02    -0.00   0.00  -0.00     0.00  -0.04   0.02
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    12   1    -0.03   0.07   0.37    -0.00   0.00  -0.01     0.01  -0.02  -0.23
    13   1     0.36   0.05   0.12    -0.01  -0.01   0.00    -0.23  -0.06  -0.07
    14   1    -0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.03   0.02  -0.00
    15   1    -0.15  -0.20   0.26    -0.01  -0.01   0.02     0.17   0.22  -0.28
    16   1     0.14  -0.33  -0.04     0.00  -0.03  -0.01    -0.16   0.36   0.05
    17   1    -0.03   0.17  -0.09     0.37   0.18   0.27    -0.05   0.25  -0.15
    18   1    -0.01  -0.25  -0.19    -0.18  -0.06   0.21     0.01  -0.32  -0.28
    19   1     0.23  -0.16   0.06     0.33  -0.07  -0.22     0.29  -0.21   0.08
    20   1     0.18  -0.10  -0.01    -0.36  -0.14  -0.33     0.14  -0.10  -0.03
    21   1    -0.19   0.16  -0.10     0.10   0.19  -0.31    -0.15   0.14  -0.11
    22   1     0.14   0.30   0.01    -0.17  -0.12   0.24     0.11   0.25   0.02
    23   1     0.00   0.00   0.00    -0.00   0.01  -0.00     0.02  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.00  -0.00  -0.00
    25   1    -0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.00
    26   1     0.00   0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1501.8407              1505.4414              1509.2461
 Red. masses --      1.0917                 1.0660                 1.0658
 Frc consts  --      1.4508                 1.4234                 1.4304
 IR Inten    --      3.8785                 8.9955                 5.7837
 RamAct Fr= 1--      8.4929                 5.7806                 0.3505
  Dep-P Fr= 1--      0.6060                 0.7049                 0.3614
  Dep-U Fr= 1--      0.7547                 0.8269                 0.5309
 Alpha2 Fr= 1--      0.0226                 0.0045                 0.0030
 Beta2  Fr= 1--      1.0682                 0.7967                 0.0310
 AlphaG Fr= 1--      0.0066                -0.0198                -0.0032
 Gamma2 Fr= 1--     -0.7235                -0.4649                -0.3124
 Delta2 Fr= 1--      0.1757                 1.3628                 0.0356
 Raman1 Fr= 1--      33.972                 23.122                  1.402
 ROA1   Fr= 1--     -63.831                 -1.023                -28.853
 CID1   Fr= 1--      -1.879                 -0.044                -20.578
 Raman2 Fr= 1--      12.819                  9.560                  0.372
 ROA2   Fr= 1--     -18.768                -22.061                 -7.783
 CID2   Fr= 1--      -1.464                 -2.308                -20.911
 Raman3 Fr= 1--      25.638                 19.120                  0.744
 ROA3   Fr= 1--     -63.831                 -1.023                -28.853
 CID3   Fr= 1--      -2.490                 -0.053                -38.762
 RC180  Fr= 1--       0.509                  0.654                  0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.00     0.01  -0.01  -0.03    -0.02  -0.01  -0.02
     2   6    -0.02   0.03  -0.02    -0.00  -0.03  -0.01    -0.03  -0.02  -0.02
     3   6     0.01  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.01   0.02  -0.02    -0.02  -0.02   0.02    -0.02  -0.01  -0.02
     9   6    -0.03  -0.02  -0.04    -0.02  -0.00  -0.02     0.02   0.01   0.03
    10   6     0.00  -0.04   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.04   0.09   0.37    -0.02   0.03   0.24     0.03  -0.04  -0.24
    13   1     0.37   0.08   0.12     0.23   0.05   0.08    -0.24  -0.06  -0.07
    14   1    -0.04   0.01   0.01    -0.02  -0.01   0.01     0.01  -0.01   0.00
    15   1     0.13   0.15  -0.20     0.13   0.16  -0.21    -0.06  -0.08   0.12
    16   1    -0.11   0.26   0.03    -0.12   0.27   0.03     0.07  -0.15  -0.02
    17   1     0.15   0.17   0.07     0.12  -0.21   0.20     0.34   0.12   0.26
    18   1    -0.09  -0.15   0.02    -0.06   0.26   0.30    -0.17   0.01   0.25
    19   1     0.24  -0.11  -0.07    -0.19   0.17  -0.10     0.24  -0.00  -0.24
    20   1    -0.01   0.19   0.20     0.24  -0.18  -0.05     0.33   0.11   0.29
    21   1     0.17  -0.28   0.26    -0.20   0.21  -0.15    -0.16  -0.13   0.27
    22   1    -0.04  -0.28  -0.17     0.17   0.37  -0.01     0.17   0.16  -0.20
    23   1    -0.00  -0.00  -0.01    -0.02  -0.00  -0.01     0.01   0.01  -0.00
    24   1     0.01   0.00   0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1674.1597              1761.9057              3020.5435
 Red. masses --      6.6567                 8.4459                 1.0348
 Frc consts  --     10.9927                15.4476                 5.5627
 IR Inten    --    253.6549               111.4582                23.6476
 RamAct Fr= 1--    701.6427                23.7009                42.1596
  Dep-P Fr= 1--      0.2707                 0.7340                 0.0749
  Dep-U Fr= 1--      0.4260                 0.8466                 0.1393
 Alpha2 Fr= 1--      7.8425                 0.0065                 0.7846
 Beta2  Fr= 1--     49.8184                 3.3443                 0.9786
 AlphaG Fr= 1--     -1.6458                 0.0346                 0.1237
 Gamma2 Fr= 1--    -20.6019                 1.0277                -2.1511
 Delta2 Fr= 1--      2.8160                -0.0218                -1.5750
 Raman1 Fr= 1--    2806.571                 94.804                168.639
 ROA1   Fr= 1--   -1887.672                 97.957               -256.908
 CID1   Fr= 1--      -0.673                  1.033                 -1.523
 Raman2 Fr= 1--     597.820                 40.131                 11.744
 ROA2   Fr= 1--    -516.973                 24.838                -39.026
 CID2   Fr= 1--      -0.865                  0.619                 -3.323
 Raman3 Fr= 1--    1195.641                 80.263                 23.487
 ROA3   Fr= 1--   -1887.672                 97.957               -256.908
 CID3   Fr= 1--      -1.579                  1.220                -10.938
 RC180  Fr= 1--      -0.148                  0.693                 -0.721
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.02   0.01
     2   6    -0.02   0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.08  -0.02   0.01    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     4   6     0.43   0.11   0.12     0.22   0.06   0.08    -0.00   0.00  -0.00
     5   6    -0.40  -0.10  -0.10    -0.22  -0.07  -0.11    -0.00   0.00   0.00
     6   6     0.08  -0.06  -0.25    -0.01   0.18   0.57     0.00  -0.00  -0.00
     7   8    -0.02   0.05   0.16     0.02  -0.11  -0.36    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.03   0.02   0.03
     9   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00   0.00   0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.00
    12   1     0.00   0.01   0.02     0.00   0.00   0.00    -0.02  -0.00   0.00
    13   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1     0.21   0.05  -0.01     0.10   0.01  -0.02     0.00   0.01   0.03
    15   1     0.02   0.01  -0.01     0.01   0.00   0.00     0.00  -0.01  -0.00
    16   1     0.03   0.06   0.04     0.00   0.01   0.00    -0.01  -0.00   0.01
    17   1     0.01   0.00   0.01     0.00   0.00   0.00     0.12  -0.07  -0.12
    18   1    -0.02  -0.02   0.02    -0.00  -0.01   0.00    -0.23   0.11  -0.14
    19   1     0.01   0.00  -0.01     0.01  -0.00  -0.00     0.13   0.20   0.14
    20   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.14   0.33  -0.28
    21   1    -0.01   0.00   0.01    -0.00   0.00  -0.00    -0.23  -0.40  -0.28
    22   1     0.02  -0.01  -0.02     0.00  -0.00   0.00     0.43  -0.20   0.27
    23   1    -0.49  -0.04   0.14    -0.25  -0.01   0.11    -0.00   0.00   0.00
    24   1     0.33  -0.00  -0.17     0.39   0.01  -0.16     0.00   0.00   0.00
    25   1     0.05  -0.02   0.09    -0.07   0.03  -0.16     0.00  -0.00  -0.00
    26   1     0.03   0.08   0.06    -0.04  -0.13  -0.10    -0.00  -0.00   0.00
    27   1    -0.07  -0.04  -0.10     0.13   0.08   0.18     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.2509              3029.6333              3052.0825
 Red. masses --      1.0367                 1.0378                 1.0596
 Frc consts  --      5.5939                 5.6124                 5.8155
 IR Inten    --     29.6108                 2.9150                50.3229
 RamAct Fr= 1--    264.6816               215.1712               114.7472
  Dep-P Fr= 1--      0.0263                 0.0174                 0.1157
  Dep-U Fr= 1--      0.0513                 0.0342                 0.2074
 Alpha2 Fr= 1--      5.5296                 4.5905                 1.9331
 Beta2  Fr= 1--      2.2643                 1.2282                 3.9657
 AlphaG Fr= 1--     -1.5319                 0.3529                -0.0611
 Gamma2 Fr= 1--      3.1946                 0.4318                -1.5686
 Delta2 Fr= 1--     -0.9425                -1.6142                -3.3546
 Raman1 Fr= 1--    1058.727                860.685                458.989
 ROA1   Fr= 1--     276.525                -10.201               -257.936
 CID1   Fr= 1--       0.261                 -0.012                 -0.562
 Raman2 Fr= 1--      27.171                 14.738                 47.588
 ROA2   Fr= 1--      84.211                 23.277                -10.811
 CID2   Fr= 1--       3.099                  1.579                 -0.227
 Raman3 Fr= 1--      54.342                 29.477                 95.176
 ROA3   Fr= 1--     276.525                -10.201               -257.936
 CID3   Fr= 1--       5.089                 -0.346                 -2.710
 RC180  Fr= 1--      -0.897                 -0.932                 -0.585
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.04  -0.02     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6    -0.01   0.01   0.01     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.04  -0.01  -0.05
    10   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.00  -0.00   0.00    -0.02  -0.02  -0.04    -0.00  -0.00   0.00
    12   1    -0.07  -0.01   0.00    -0.00  -0.00   0.00     0.67   0.09  -0.01
    13   1     0.03  -0.01  -0.06     0.00  -0.00  -0.00    -0.26   0.08   0.62
    14   1     0.00   0.01   0.06     0.00  -0.00  -0.00     0.01   0.06   0.26
    15   1     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.08  -0.04
    16   1    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.24   0.14   0.25    -0.00   0.00   0.00    -0.01   0.00   0.01
    18   1     0.46  -0.22   0.28     0.00  -0.00   0.00     0.03  -0.02   0.02
    19   1    -0.25  -0.41  -0.28    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    20   1     0.07   0.17  -0.15     0.00   0.00  -0.00     0.01   0.02  -0.02
    21   1    -0.11  -0.19  -0.14    -0.00  -0.00  -0.00    -0.02  -0.03  -0.02
    22   1     0.21  -0.09   0.13     0.00  -0.00  -0.00     0.00  -0.00   0.00
    23   1     0.00  -0.00  -0.01     0.00   0.00   0.00     0.00  -0.01  -0.03
    24   1     0.00   0.00  -0.00    -0.00  -0.01  -0.02     0.00  -0.00  -0.01
    25   1    -0.00   0.00   0.00    -0.10   0.62   0.21    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.08  -0.39   0.52    -0.00   0.00  -0.00
    27   1     0.00  -0.00  -0.00     0.30  -0.02  -0.22     0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.7039              3069.7934              3077.9218
 Red. masses --      1.0813                 1.0623                 1.1017
 Frc consts  --      5.9484                 5.8980                 6.1493
 IR Inten    --     14.0343                27.1131                 1.9370
 RamAct Fr= 1--     77.2550               228.8889                11.0407
  Dep-P Fr= 1--      0.2266                 0.0237                 0.6433
  Dep-U Fr= 1--      0.3695                 0.0464                 0.7830
 Alpha2 Fr= 1--      0.9768                 4.8112                 0.0212
 Beta2  Fr= 1--      4.7572                 1.7696                 1.4407
 AlphaG Fr= 1--     -0.4708                 1.1146                 0.0472
 Gamma2 Fr= 1--      7.8507                -4.3814                 3.0874
 Delta2 Fr= 1--     -3.0720                -6.2794                 0.7612
 Raman1 Fr= 1--     309.020                915.556                 44.163
 ROA1   Fr= 1--     655.366               -621.554                320.750
 CID1   Fr= 1--       2.121                 -0.679                  7.263
 Raman2 Fr= 1--      57.086                 21.235                 17.289
 ROA2   Fr= 1--     212.993                -54.918                 68.009
 CID2   Fr= 1--       3.731                 -2.586                  3.934
 Raman3 Fr= 1--     114.173                 42.469                 34.578
 ROA3   Fr= 1--     655.366               -621.554                320.750
 CID3   Fr= 1--       5.740                -14.635                  9.276
 RC180  Fr= 1--      -0.261                 -0.907                  0.566
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.06  -0.02  -0.04
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.02  -0.07     0.00   0.01   0.02     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   6     0.01  -0.00   0.00    -0.00   0.01  -0.01     0.04   0.01   0.04
     9   6     0.01   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
    10   6    -0.00  -0.02   0.01     0.00  -0.06   0.02     0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.18  -0.03   0.00     0.05   0.00  -0.00     0.04   0.01   0.00
    13   1     0.06  -0.02  -0.13    -0.06   0.02   0.16     0.01  -0.00  -0.03
    14   1     0.06   0.20   0.88    -0.02  -0.06  -0.26    -0.00  -0.01  -0.05
    15   1    -0.10   0.14   0.07    -0.37   0.51   0.24    -0.03   0.04   0.02
    16   1     0.15   0.07  -0.20     0.37   0.18  -0.50     0.01   0.00  -0.01
    17   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.01  -0.02  -0.04
    18   1    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.44  -0.22   0.26
    19   1     0.02   0.03   0.02    -0.01  -0.02  -0.02     0.24   0.42   0.28
    20   1    -0.01  -0.01   0.01    -0.02  -0.05   0.04     0.02   0.01  -0.00
    21   1     0.00   0.00   0.00    -0.01  -0.02  -0.02    -0.17  -0.32  -0.22
    22   1    -0.06   0.03  -0.04     0.08  -0.04   0.05    -0.34   0.16  -0.20
    23   1     0.00  -0.02  -0.07    -0.00   0.00   0.00    -0.00   0.00   0.01
    24   1     0.00  -0.01  -0.02    -0.00   0.00   0.01    -0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    26   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3081.4371              3083.7010              3088.4286
 Red. masses --      1.0984                 1.1010                 1.1009
 Frc consts  --      6.1451                 6.1683                 6.1871
 IR Inten    --      8.9948                52.1863                32.8646
 RamAct Fr= 1--     56.2705               134.9498                54.3748
  Dep-P Fr= 1--      0.7485                 0.7314                 0.7250
  Dep-U Fr= 1--      0.8562                 0.8448                 0.8406
 Alpha2 Fr= 1--      0.0014                 0.0430                 0.0234
 Beta2  Fr= 1--      8.0295                19.0020                 7.6177
 AlphaG Fr= 1--     -0.0216                 0.1275                -0.0639
 Gamma2 Fr= 1--     -1.2679                -2.5008                 4.0859
 Delta2 Fr= 1--      0.9151                10.3700                -3.6298
 Raman1 Fr= 1--     225.082                539.799                217.499
 ROA1   Fr= 1--     -92.433                 91.766                276.089
 CID1   Fr= 1--      -0.411                  0.170                  1.269
 Raman2 Fr= 1--      96.354                228.024                 91.412
 ROA2   Fr= 1--     -37.750               -142.978                127.099
 CID2   Fr= 1--      -0.392                 -0.627                  1.390
 Raman3 Fr= 1--     192.708                456.048                182.824
 ROA3   Fr= 1--     -92.433                 91.766                276.089
 CID3   Fr= 1--      -0.480                  0.201                  1.510
 RC180  Fr= 1--       0.712                  0.690                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.04  -0.01  -0.03    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.00   0.00    -0.05  -0.02  -0.05    -0.01  -0.08   0.04
     9   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.01   0.00  -0.01
    10   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.01  -0.00
    11   6     0.02  -0.09   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.00   0.00  -0.00    -0.04  -0.00   0.00    -0.06  -0.01  -0.00
    13   1     0.00  -0.00  -0.00    -0.02   0.01   0.05    -0.03   0.01   0.07
    14   1    -0.00  -0.00  -0.00     0.00   0.01   0.04    -0.00  -0.01  -0.04
    15   1    -0.00   0.00   0.00     0.02  -0.03  -0.01    -0.06   0.08   0.04
    16   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00  -0.02
    17   1    -0.00   0.00   0.00     0.02  -0.02  -0.03     0.04  -0.02  -0.04
    18   1    -0.00   0.00  -0.00     0.34  -0.17   0.21     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00     0.19   0.32   0.21    -0.01  -0.01  -0.01
    20   1    -0.00  -0.00   0.00    -0.02  -0.02   0.00     0.26   0.60  -0.54
    21   1    -0.01  -0.01  -0.01     0.22   0.41   0.29     0.16   0.26   0.21
    22   1    -0.01   0.00  -0.00     0.44  -0.21   0.26    -0.28   0.11  -0.16
    23   1     0.00  -0.00   0.00    -0.00  -0.00  -0.01    -0.00   0.00   0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.10   0.65   0.25    -0.00   0.01   0.00    -0.00   0.00   0.00
    26   1    -0.08   0.40  -0.58    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    27   1     0.00  -0.02   0.01     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3092.9883              3102.3552              3117.8925
 Red. masses --      1.1084                 1.0997                 1.1078
 Frc consts  --      6.2473                 6.2359                 6.3448
 IR Inten    --     16.8636                24.8932                39.5229
 RamAct Fr= 1--     64.1131                46.6700                88.4084
  Dep-P Fr= 1--      0.6437                 0.7438                 0.6379
  Dep-U Fr= 1--      0.7833                 0.8531                 0.7789
 Alpha2 Fr= 1--      0.1228                 0.0049                 0.1792
 Beta2  Fr= 1--      8.3695                 6.6354                11.4776
 AlphaG Fr= 1--     -0.0926                -0.0120                 0.1258
 Gamma2 Fr= 1--    -23.8402                 6.0538                24.2334
 Delta2 Fr= 1--    -12.8412                -2.7603                16.8990
 Raman1 Fr= 1--     256.452                186.680                353.634
 ROA1   Fr= 1--   -2699.575                492.839               2867.179
 CID1   Fr= 1--     -10.527                  2.640                  8.108
 Raman2 Fr= 1--     100.434                 79.625                137.731
 ROA2   Fr= 1--    -469.435                167.374                446.410
 CID2   Fr= 1--      -4.674                  2.102                  3.241
 Raman3 Fr= 1--     200.869                159.251                275.462
 ROA3   Fr= 1--   -2699.575                492.839               2867.179
 CID3   Fr= 1--     -13.439                  3.095                 10.409
 RC180  Fr= 1--       0.567                  0.706                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01     0.05  -0.05  -0.05     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     4   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     9   6    -0.07  -0.00   0.05     0.01   0.00  -0.01     0.03  -0.00  -0.02
    10   6     0.02  -0.02  -0.02    -0.01   0.00   0.01     0.06  -0.02  -0.06
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.65   0.09   0.01    -0.09  -0.01  -0.00    -0.24  -0.03  -0.01
    13   1     0.22  -0.08  -0.57    -0.03   0.01   0.09    -0.10   0.04   0.27
    14   1     0.00   0.01   0.04    -0.00  -0.00  -0.01     0.01   0.01   0.06
    15   1    -0.17   0.25   0.11     0.04  -0.07  -0.03    -0.32   0.47   0.20
    16   1    -0.12  -0.06   0.16     0.04   0.02  -0.05    -0.38  -0.20   0.52
    17   1    -0.09   0.05   0.10    -0.57   0.31   0.60    -0.03   0.01   0.03
    18   1    -0.03   0.02  -0.02    -0.19   0.09  -0.14    -0.01   0.00  -0.01
    19   1     0.03   0.04   0.02     0.16   0.23   0.15     0.01   0.01   0.01
    20   1     0.02   0.04  -0.04     0.01   0.03  -0.03    -0.02  -0.05   0.05
    21   1     0.04   0.07   0.05     0.01   0.01   0.01    -0.01  -0.02  -0.02
    22   1     0.04  -0.02   0.02    -0.03   0.01  -0.01     0.01  -0.00   0.01
    23   1     0.00  -0.00  -0.01     0.01  -0.03  -0.10     0.00  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3138.0357              3145.2780              3150.3690
 Red. masses --      1.0887                 1.1005                 1.0884
 Frc consts  --      6.3165                 6.4143                 6.3643
 IR Inten    --      1.7773                11.5884                16.1236
 RamAct Fr= 1--     57.5180                86.6115                36.9492
  Dep-P Fr= 1--      0.1757                 0.4949                 0.3821
  Dep-U Fr= 1--      0.2990                 0.6621                 0.5529
 Alpha2 Fr= 1--      0.8324                 0.4380                 0.2914
 Beta2  Fr= 1--      2.8659                 9.5572                 3.4052
 AlphaG Fr= 1--     -0.2387                -0.1378                 0.2710
 Gamma2 Fr= 1--      1.0766                -0.2343                -0.6512
 Delta2 Fr= 1--      1.0354                 0.1028                -0.8841
 Raman1 Fr= 1--     230.072                346.446                147.797
 ROA1   Fr= 1--     136.483                -19.199                -90.809
 CID1   Fr= 1--       0.593                 -0.055                 -0.614
 Raman2 Fr= 1--      34.390                114.686                 40.862
 ROA2   Fr= 1--      17.554                 -6.445                 -8.557
 CID2   Fr= 1--       0.510                 -0.056                 -0.209
 Raman3 Fr= 1--      68.781                229.373                 81.724
 ROA3   Fr= 1--     136.483                -19.199                -90.809
 CID3   Fr= 1--       1.984                 -0.084                 -1.111
 RC180  Fr= 1--      -0.402                  0.324                  0.106
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.02  -0.08     0.00  -0.00  -0.00     0.00  -0.01  -0.02
     5   6     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.02  -0.08
     6   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   8     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.00  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00   0.00    -0.06   0.01   0.06     0.01  -0.00  -0.01
    12   1    -0.02  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    13   1    -0.02   0.01   0.05    -0.00   0.00   0.00    -0.01   0.00   0.01
    14   1     0.00   0.02   0.07    -0.00   0.00   0.01    -0.00   0.01   0.05
    15   1    -0.04   0.06   0.02    -0.00   0.00   0.00    -0.01   0.01   0.00
    16   1    -0.03  -0.02   0.04    -0.00  -0.00   0.00    -0.01  -0.00   0.01
    17   1    -0.06   0.03   0.07    -0.00   0.00   0.00    -0.02   0.01   0.02
    18   1    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    20   1    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23   1    -0.05   0.28   0.90    -0.00   0.01   0.04    -0.01   0.08   0.25
    24   1     0.00  -0.08  -0.26     0.00   0.05   0.15     0.00   0.28   0.90
    25   1     0.00  -0.00  -0.00     0.03  -0.23  -0.07    -0.01   0.05   0.02
    26   1    -0.00   0.00  -0.00    -0.04   0.15  -0.19     0.01  -0.03   0.04
    27   1    -0.00  -0.00   0.00     0.75  -0.03  -0.52    -0.12   0.01   0.08

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   799.028963580.371193676.58511
           X            0.99991   0.00265   0.01295
           Y           -0.00263   1.00000  -0.00120
           Z           -0.01295   0.00117   0.99992
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10840     0.02419     0.02356
 Rotational constants (GHZ):           2.25867     0.50407     0.49087
 Zero-point vibrational energy     621656.6 (Joules/Mol)
                                  148.57950 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     52.79    93.25   105.95   166.49   202.40
          (Kelvin)            218.39   314.08   352.06   376.30   392.49
                              480.36   516.50   522.32   597.19   633.58
                              700.75   846.08   889.94   902.89  1050.51
                             1188.19  1238.05  1259.88  1287.54  1335.89
                             1363.13  1375.21  1381.93  1412.24  1433.68
                             1475.97  1492.67  1508.88  1518.06  1659.86
                             1701.56  1731.66  1748.62  1774.55  1790.38
                             1815.67  1837.65  1858.09  1881.00  1926.62
                             1982.60  2003.46  2022.79  2047.94  2107.63
                             2121.25  2133.95  2137.54  2147.45  2160.81
                             2165.99  2171.47  2408.74  2534.99  4345.89
                             4354.10  4358.97  4391.27  4396.48  4416.75
                             4428.44  4433.50  4436.76  4443.56  4450.12
                             4463.60  4485.95  4514.93  4525.35  4532.68
 
 Zero-point correction=                           0.236777 (Hartree/Particle)
 Thermal correction to Energy=                    0.249324
 Thermal correction to Enthalpy=                  0.250268
 Thermal correction to Gibbs Free Energy=         0.197657
 Sum of electronic and zero-point Energies=           -465.873494
 Sum of electronic and thermal Energies=              -465.860947
 Sum of electronic and thermal Enthalpies=            -465.860003
 Sum of electronic and thermal Free Energies=         -465.912614
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.453             46.447            110.730
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.732
 Vibrational            154.676             40.486             39.030
 Vibration     1          0.594              1.982              5.430
 Vibration     2          0.597              1.971              4.305
 Vibration     3          0.599              1.966              4.054
 Vibration     4          0.608              1.936              3.171
 Vibration     5          0.615              1.913              2.795
 Vibration     6          0.619              1.901              2.650
 Vibration     7          0.646              1.813              1.973
 Vibration     8          0.660              1.772              1.768
 Vibration     9          0.669              1.743              1.651
 Vibration    10          0.676              1.723              1.578
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.734              1.557              1.126
 Vibration    13          0.737              1.548              1.109
 Vibration    14          0.778              1.438              0.909
 Vibration    15          0.800              1.382              0.825
 Vibration    16          0.843              1.279              0.691
 Vibration    17          0.945              1.057              0.471
 Vibration    18          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.121392D-90        -90.915808       -209.341385
 Total V=0       0.985665D+18         17.993730         41.432093
 Vib (Bot)       0.141790-104       -104.848355       -241.422260
 Vib (Bot)    1  0.564095D+01          0.751352          1.730052
 Vib (Bot)    2  0.318447D+01          0.503037          1.158284
 Vib (Bot)    3  0.279924D+01          0.447041          1.029349
 Vib (Bot)    4  0.176774D+01          0.247419          0.569704
 Vib (Bot)    5  0.144517D+01          0.159920          0.368229
 Vib (Bot)    6  0.133516D+01          0.125532          0.289048
 Vib (Bot)    7  0.906783D+00         -0.042497         -0.097852
 Vib (Bot)    8  0.799603D+00         -0.097126         -0.223640
 Vib (Bot)    9  0.742082D+00         -0.129548         -0.298296
 Vib (Bot)   10  0.707439D+00         -0.150311         -0.346103
 Vib (Bot)   11  0.558311D+00         -0.253124         -0.582840
 Vib (Bot)   12  0.510920D+00         -0.291647         -0.671543
 Vib (Bot)   13  0.503874D+00         -0.297678         -0.685429
 Vib (Bot)   14  0.424627D+00         -0.371992         -0.856544
 Vib (Bot)   15  0.392455D+00         -0.406210         -0.935333
 Vib (Bot)   16  0.341310D+00         -0.466851         -1.074964
 Vib (Bot)   17  0.257035D+00         -0.590007         -1.358541
 Vib (Bot)   18  0.236792D+00         -0.625634         -1.440575
 Vib (V=0)       0.115128D+05          4.061182          9.351218
 Vib (V=0)    1  0.616306D+01          0.789797          1.818574
 Vib (V=0)    2  0.372348D+01          0.570949          1.314659
 Vib (V=0)    3  0.334355D+01          0.524207          1.207032
 Vib (V=0)    4  0.233710D+01          0.368676          0.848909
 Vib (V=0)    5  0.202922D+01          0.307330          0.707654
 Vib (V=0)    6  0.192571D+01          0.284590          0.655294
 Vib (V=0)    7  0.153550D+01          0.186249          0.428854
 Vib (V=0)    8  0.144306D+01          0.159285          0.366767
 Vib (V=0)    9  0.139481D+01          0.144515          0.332758
 Vib (V=0)   10  0.136630D+01          0.135545          0.312104
 Vib (V=0)   11  0.124947D+01          0.096727          0.222722
 Vib (V=0)   12  0.121487D+01          0.084530          0.194637
 Vib (V=0)   13  0.120985D+01          0.082732          0.190497
 Vib (V=0)   14  0.115598D+01          0.062950          0.144947
 Vib (V=0)   15  0.113563D+01          0.055236          0.127185
 Vib (V=0)   16  0.110539D+01          0.043514          0.100195
 Vib (V=0)   17  0.106220D+01          0.026206          0.060341
 Vib (V=0)   18  0.105324D+01          0.022526          0.051867
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.116095D+07          6.064813         13.964748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004807    0.000003208    0.000001796
      2        6           0.000012206    0.000002675   -0.000008426
      3        6          -0.000016537   -0.000001790    0.000008671
      4        6          -0.000000905    0.000000232   -0.000001319
      5        6          -0.000010355    0.000001729   -0.000002632
      6        6           0.000007774    0.000005198    0.000002837
      7        8           0.000001680   -0.000000345   -0.000003986
      8        6           0.000001780   -0.000002563   -0.000006244
      9        6          -0.000011527    0.000004764   -0.000000858
     10        6           0.000015185   -0.000007969    0.000002242
     11        6           0.000003111   -0.000004414   -0.000012246
     12        1          -0.000003612   -0.000001260   -0.000001459
     13        1          -0.000003177   -0.000001901    0.000000431
     14        1           0.000005451   -0.000000307    0.000002442
     15        1          -0.000000249   -0.000004247    0.000001284
     16        1           0.000000007    0.000000079   -0.000001757
     17        1           0.000000653   -0.000001257   -0.000001023
     18        1          -0.000000564    0.000001054    0.000000739
     19        1           0.000002772    0.000003426    0.000002259
     20        1          -0.000000546    0.000000310    0.000004049
     21        1          -0.000000536    0.000002522    0.000005005
     22        1          -0.000001380   -0.000000622    0.000001115
     23        1           0.000004011   -0.000002699   -0.000001481
     24        1          -0.000000966   -0.000000967    0.000002267
     25        1          -0.000000327    0.000003181    0.000003577
     26        1           0.000000452    0.000001123    0.000004088
     27        1           0.000000404    0.000000841   -0.000001372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016537 RMS     0.000004688
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173045D+03  0.541562D+01  0.305830D+01
      2   0.541562D+01  0.110584D+03  0.309643D+01
      3   0.305830D+01  0.309643D+01  0.114702D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.720720D+01 -0.861913D+01  0.565542D+01
      2   0.309258D+02 -0.944159D+01  0.452483D+01
      3   0.243022D+02 -0.411637D+02  0.147083D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.788169D+02 -0.268863D+02 -0.322967D+01
      2   0.680417D+02  0.405247D+01  0.100504D+02
      3   0.107752D+02  0.228338D+02 -0.682072D+01
      4  -0.403117D+02  0.961960D+02 -0.270281D+02
      5  -0.342386D+02 -0.293959D+02  0.621029D+01
      6  -0.123203D+02 -0.188940D+02 -0.129510D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.277963D+01  0.215113D+01 -0.377834D+01  0.162730D+01  0.346327D+00
      2   0.215113D+01  0.358629D+00  0.370244D+01  0.346327D+00  0.298184D+01
      3  -0.377834D+01  0.370244D+01  0.251554D+00  0.371168D+01  0.156850D+01
                 6             7             8             9            10 
      1   0.371168D+01 -0.427584D+01  0.378054D+01  0.318256D+00  0.202894D+02
      2   0.156850D+01  0.378054D+01  0.193210D+01  0.106641D+00 -0.347476D+01
      3  -0.579692D+00  0.318256D+00  0.106641D+00 -0.194067D+01  0.368057D+01
                11            12            13            14            15 
      1  -0.347476D+01  0.368057D+01 -0.783031D+01  0.223053D+01 -0.387714D+01
      2   0.529398D+00 -0.321424D+01  0.223053D+01 -0.414264D+01 -0.263509D+01
      3  -0.321424D+01 -0.636783D+00 -0.387714D+01 -0.263509D+01 -0.310910D+00
                16            17            18            19            20 
      1   0.154237D+02 -0.433215D+01  0.273584D+00 -0.422235D+02 -0.676294D+00
      2  -0.433215D+01 -0.237753D+01 -0.165925D+00 -0.676294D+00 -0.402231D+01
      3   0.273584D+00 -0.165925D+00  0.814037D+00 -0.169867D+01  0.101429D+01
                21            22            23            24            25 
      1  -0.169867D+01  0.464720D+01 -0.879943D+01  0.204951D+01 -0.528202D+01
      2   0.101429D+01 -0.879943D+01 -0.112712D+01 -0.809012D+00  0.190274D+01
      3   0.226186D-01  0.204951D+01 -0.809012D+00  0.219198D+01  0.349016D+00
                26            27            28            29            30 
      1   0.190274D+01  0.349016D+00  0.633693D+02  0.378448D+01  0.501396D+00
      2  -0.114470D+01  0.219014D+01  0.378448D+01  0.319741D+01 -0.635611D+00
      3   0.219014D+01  0.456610D+01  0.501396D+00 -0.635611D+00  0.151463D+01
                31            32            33            34            35 
      1   0.107330D+02  0.680061D+01 -0.185760D+01  0.800859D+01 -0.727986D+00
      2   0.680061D+01  0.285221D+01 -0.153081D+00 -0.727986D+00  0.914346D+00
      3  -0.185760D+01 -0.153081D+00 -0.122083D+01  0.169531D+01 -0.160898D+01
                36            37            38            39            40 
      1   0.169531D+01 -0.571280D+02 -0.337581D+01  0.286077D+01 -0.119437D+02
      2  -0.160898D+01 -0.337581D+01 -0.187062D+01  0.854651D+00 -0.476748D+01
      3  -0.323445D+01  0.286077D+01  0.854651D+00 -0.113520D+01  0.139692D+01
                41            42            43            44            45 
      1  -0.476748D+01  0.139692D+01 -0.109085D+02 -0.477881D+00 -0.370974D+01
      2  -0.222730D+01 -0.738087D+00 -0.477881D+00 -0.160755D+01  0.167182D+01
      3  -0.738087D+00  0.185442D+01 -0.370974D+01  0.167182D+01  0.269458D+01
                46            47            48            49            50 
      1   0.183251D+02  0.108540D+01 -0.314209D+01 -0.453285D+01 -0.753890D+00
      2   0.108540D+01 -0.964562D+00  0.816799D-01 -0.753890D+00 -0.576930D+00
      3  -0.314209D+01  0.816799D-01 -0.687069D+00  0.264625D+01 -0.814715D+00
                51            52            53            54            55 
      1   0.264625D+01 -0.248748D+02  0.640027D+00  0.820862D+01 -0.469801D+01
      2  -0.814715D+00  0.640027D+00  0.345925D+00 -0.933579D+00  0.553418D+00
      3  -0.156786D+01  0.820862D+01 -0.933579D+00 -0.595353D+01  0.247716D+01
                56            57            58            59            60 
      1   0.553418D+00  0.247716D+01  0.753572D+01 -0.172768D+01 -0.263074D+01
      2  -0.277791D+00 -0.492548D+00 -0.172768D+01  0.181080D+01  0.293564D+01
      3  -0.492548D+00 -0.105620D+01 -0.263074D+01  0.293564D+01  0.153855D+01
                61            62            63            64            65 
      1   0.246525D+02 -0.199433D+00 -0.949132D+01 -0.751511D+01  0.221486D+01
      2  -0.199433D+00  0.138444D+01  0.123510D+01  0.221486D+01 -0.147140D+00
      3  -0.949132D+01  0.123510D+01  0.109947D+02 -0.248802D+01  0.384002D+01
                66            67            68            69            70 
      1  -0.248802D+01  0.269561D+01 -0.108167D+01  0.373919D+01 -0.655915D+01
      2   0.384002D+01 -0.108167D+01  0.183776D+01  0.352187D+01  0.391075D+01
      3   0.797516D+00  0.373919D+01  0.352187D+01 -0.765725D+00 -0.234471D+00
                71            72            73            74            75 
      1   0.391075D+01 -0.234471D+00 -0.647634D+01 -0.156260D+01 -0.153622D+01
      2   0.330365D+01 -0.168790D+00 -0.156260D+01  0.177261D+01 -0.417564D+00
      3  -0.168790D+00  0.153243D+01 -0.153622D+01 -0.417564D+00  0.243018D+01
                76            77            78            79            80 
      1  -0.178937D+01  0.248083D+01 -0.672054D+00  0.299775D+00 -0.179202D+00
      2   0.248083D+01  0.470963D+01  0.299093D+01 -0.179202D+00  0.262977D+01
      3  -0.672054D+00  0.299093D+01 -0.897564D+00  0.215492D+01 -0.162727D+01
                81            82            83            84            85 
      1   0.215492D+01  0.663125D+01  0.243665D+01  0.793844D+00  0.502613D+01
      2  -0.162727D+01  0.243665D+01  0.387522D+01  0.296384D+01  0.551687D+01
      3  -0.342624D+01  0.793844D+00  0.296384D+01 -0.269216D+01  0.218478D+01
                86            87            88            89            90 
      1   0.551687D+01  0.218478D+01  0.790735D+01  0.523550D+01 -0.324098D+01
      2  -0.194965D+01 -0.381333D-01  0.523550D+01 -0.383226D-01 -0.404417D+00
      3  -0.381333D-01 -0.173267D-01 -0.324098D+01 -0.404417D+00  0.770859D+00
                91            92            93            94            95 
      1   0.140067D+01 -0.130437D+01 -0.435671D+01 -0.239923D+01  0.441332D+00
      2  -0.130437D+01 -0.859786D+00 -0.101908D+01  0.441332D+00  0.385028D+01
      3  -0.435671D+01 -0.101908D+01  0.129188D+01 -0.907210D+00  0.350378D+01
                96            97            98            99           100 
      1  -0.907210D+00 -0.724076D+01 -0.957102D+00  0.353349D+01  0.112067D+02
      2   0.350378D+01 -0.957102D+00  0.295075D+01 -0.940178D+00  0.226080D+01
      3  -0.140343D+01  0.353349D+01 -0.940178D+00  0.387849D+01  0.235092D+01
               101           102           103           104           105 
      1   0.226080D+01  0.235092D+01  0.102587D+01  0.140983D+01  0.255954D+00
      2   0.195746D+01  0.575101D+00  0.140983D+01  0.585909D+00  0.151990D+00
      3   0.575101D+00  0.155058D+01  0.255954D+00  0.151990D+00  0.263899D+00
               106           107           108           109           110 
      1   0.418047D+00  0.176832D+00  0.109469D+01 -0.201341D+00  0.407879D+00
      2   0.176832D+00 -0.191726D+00  0.497214D+00  0.407879D+00 -0.909356D+00
      3   0.109469D+01  0.497214D+00  0.106065D+01  0.911294D+00 -0.268494D+00
               111           112           113           114           115 
      1   0.911294D+00  0.204660D+00 -0.130813D+00  0.836199D-01  0.118716D+01
      2  -0.268494D+00 -0.130813D+00  0.438813D+00  0.763948D+00  0.109439D+00
      3  -0.193987D+01  0.836199D-01  0.763948D+00  0.920191D+00  0.846329D-01
               116           117           118           119           120 
      1   0.109439D+00  0.846329D-01 -0.435375D+00 -0.381308D+00 -0.764837D+00
      2   0.178182D+01  0.163209D+01 -0.381308D+00  0.249304D+00 -0.110186D+00
      3   0.163209D+01  0.781136D+01 -0.764837D+00 -0.110186D+00 -0.360776D+00
               121           122           123           124           125 
      1  -0.185760D+01  0.388723D+00 -0.225152D-01 -0.151873D+01  0.884494D-02
      2   0.388723D+00 -0.512886D+00 -0.103728D+01  0.884494D-02 -0.127593D+01
      3  -0.225152D-01 -0.103728D+01 -0.131851D+01  0.117865D+00 -0.756493D+00
               126           127           128           129           130 
      1   0.117865D+00 -0.196285D+01  0.147299D+01  0.400879D-01  0.329913D+00
      2  -0.756493D+00  0.147299D+01 -0.402713D+01 -0.554845D+00 -0.160834D+01
      3  -0.721269D+01  0.400879D-01 -0.554845D+00 -0.361543D+00 -0.371994D+00
               131           132           133           134           135 
      1  -0.160834D+01 -0.371994D+00  0.284324D+00 -0.690411D+00  0.189425D+00
      2   0.807546D+01  0.634001D+00 -0.690411D+00  0.214559D+01  0.131455D+01
      3   0.634001D+00  0.103346D+01  0.189425D+00  0.131455D+01  0.561812D+00
               136           137           138           139           140 
      1   0.279169D+01  0.153009D+01 -0.176103D+01 -0.620584D-01  0.109754D+01
      2   0.153009D+01  0.170893D+01 -0.143619D+01  0.109754D+01  0.262863D+01
      3  -0.176103D+01 -0.143619D+01  0.226557D+01 -0.104679D+01 -0.155272D+01
               141           142           143           144           145 
      1  -0.104679D+01 -0.454015D+01 -0.246806D+01  0.264750D+01 -0.309529D+01
      2  -0.155272D+01 -0.246806D+01 -0.300850D+01  0.245142D+01  0.430078D+00
      3   0.139430D+01  0.264750D+01  0.245142D+01 -0.428947D+01  0.177569D+01
               146           147           148           149           150 
      1   0.430078D+00  0.177569D+01  0.145215D+01 -0.839611D+00 -0.554260D+00
      2  -0.114512D+01 -0.142127D+00 -0.839611D+00  0.607403D+00  0.224103D+00
      3  -0.142127D+00 -0.245033D+01 -0.554260D+00  0.224103D+00  0.128451D+01
               151           152           153           154           155 
      1   0.183140D+01 -0.503099D+00 -0.184757D+01  0.546796D+01 -0.272226D+01
      2  -0.503099D+00  0.862677D+00 -0.393607D-01 -0.272226D+01  0.294634D+01
      3  -0.184757D+01 -0.393607D-01  0.429161D+01  0.288701D+01 -0.213352D+01
               156           157           158           159           160 
      1   0.288701D+01 -0.160528D+01  0.177916D+01 -0.133272D+01  0.203146D+01
      2  -0.213352D+01  0.177916D+01 -0.281784D+01  0.142417D+01 -0.163009D+01
      3   0.284667D+01 -0.133272D+01  0.142417D+01 -0.129193D+01  0.201412D+01
               161           162           163           164           165 
      1  -0.163009D+01  0.201412D+01 -0.133103D+01 -0.151316D+01 -0.285139D-01
      2   0.149237D+01 -0.180953D+01 -0.151316D+01 -0.248610D+01 -0.569767D+00
      3  -0.180953D+01  0.312608D+01 -0.285139D-01 -0.569767D+00 -0.701577D+00
               166           167           168           169           170 
      1  -0.137140D+01 -0.135443D+01 -0.535966D+00 -0.606828D+00 -0.812256D+00
      2  -0.135443D+01 -0.630078D+01 -0.744268D+00 -0.812256D+00 -0.291177D+01
      3  -0.535966D+00 -0.744268D+00 -0.126814D+01 -0.423446D+00 -0.992692D+00
               171           172           173           174           175 
      1  -0.423446D+00  0.273155D+01  0.724468D+00 -0.123492D+01  0.218373D+01
      2  -0.992692D+00  0.724468D+00  0.778299D+00 -0.980189D+00  0.900852D+00
      3  -0.106719D+01 -0.123492D+01 -0.980189D+00  0.134187D+01 -0.187192D+01
               176           177           178           179           180 
      1   0.900852D+00 -0.187192D+01 -0.165458D+01 -0.105559D+01  0.208355D+01
      2   0.252680D+01 -0.174214D+01 -0.105559D+01 -0.191952D+01  0.143187D+01
      3  -0.174214D+01  0.264643D+01  0.208355D+01  0.143187D+01 -0.403404D+01
               181           182           183           184           185 
      1  -0.376400D+00 -0.718954D+00 -0.185302D+00 -0.148631D+01  0.283972D+00
      2  -0.718954D+00 -0.186086D+01 -0.134555D+01  0.283972D+00 -0.513430D+01
      3  -0.185302D+00 -0.134555D+01 -0.149060D+01 -0.113015D+00 -0.288479D+01
               186           187           188           189           190 
      1  -0.113015D+00 -0.401513D+00 -0.274333D+00  0.151209D+00  0.858725D+01
      2  -0.288479D+01 -0.274333D+00 -0.279905D+01 -0.223174D+01 -0.313966D+01
      3  -0.245503D+01  0.151209D+00 -0.223174D+01 -0.316510D+01  0.111076D+01
               191           192           193           194           195 
      1  -0.313966D+01  0.111076D+01 -0.280441D+01  0.234331D+01 -0.618453D+00
      2   0.207605D+01 -0.681620D+00  0.234331D+01 -0.210961D+01  0.386333D-01
      3  -0.681620D+00  0.133140D+01 -0.618453D+00  0.386333D-01 -0.572397D+00
               196           197           198           199           200 
      1   0.499812D+01 -0.178534D+01  0.129564D+01  0.128083D+01  0.512754D+00
      2  -0.178534D+01  0.108575D+01 -0.593559D+00  0.512754D+00 -0.437447D-02
      3   0.129564D+01 -0.593559D+00  0.118155D+01  0.789061D+00 -0.506430D-02
               201           202           203           204           205 
      1   0.789061D+00  0.153312D+01 -0.910134D+00  0.275631D+00  0.238704D+01
      2  -0.506430D-02 -0.910134D+00  0.726116D+00  0.107025D+01  0.567168D+00
      3  -0.769207D-01  0.275631D+00  0.107025D+01  0.115969D+01  0.508830D+00
               206           207           208           209           210 
      1   0.567168D+00  0.508830D+00 -0.154243D+01 -0.614663D+00 -0.116689D+01
      2   0.147412D+01  0.112005D+01 -0.614663D+00 -0.588114D-01 -0.772686D-01
      3   0.112005D+01  0.454691D+01 -0.116689D+01 -0.772686D-01  0.193073D+00
               211           212           213           214           215 
      1  -0.101111D+01  0.222796D+00 -0.706423D+00 -0.210555D+01 -0.548727D+00
      2   0.222796D+00 -0.604175D+00 -0.898817D+00 -0.548727D+00 -0.130468D+01
      3  -0.706423D+00 -0.898817D+00 -0.171995D+01 -0.100353D+01 -0.154467D+01
               216           217           218           219           220 
      1  -0.100353D+01 -0.866936D+00 -0.534084D+00  0.368733D+00 -0.338505D+01
      2  -0.154467D+01 -0.534084D+00  0.594162D+00  0.386121D+00 -0.195364D+01
      3  -0.651468D+01  0.368733D+00  0.386121D+00  0.261519D+00 -0.816283D+00
               221           222           223           224           225 
      1  -0.195364D+01 -0.816283D+00 -0.119469D+01 -0.468160D+00 -0.143499D+01
      2  -0.734794D+01 -0.267066D+01 -0.468160D+00 -0.214276D+01 -0.152938D+01
      3  -0.267066D+01 -0.205940D+01 -0.143499D+01 -0.152938D+01 -0.232841D+01
               226           227           228           229           230 
      1  -0.247246D+01  0.743799D+00 -0.546093D+00  0.256181D+01 -0.119044D+01
      2   0.743799D+00 -0.283862D+00  0.497898D+00 -0.119044D+01  0.156949D+01
      3  -0.546093D+00  0.497898D+00 -0.793461D+00  0.147841D+01 -0.219119D+01
               231           232           233           234           235 
      1   0.147841D+01 -0.352797D+01  0.343750D+00 -0.324770D+01 -0.897719D+01
      2  -0.219119D+01  0.343750D+00 -0.227738D+01  0.167093D+01 -0.290865D+00
      3   0.293060D+01 -0.324770D+01  0.167093D+01 -0.630740D+01  0.214034D+01
               236           237           238           239           240 
      1  -0.290865D+00  0.214034D+01  0.522390D+00 -0.112512D+01  0.113147D+00
      2  -0.112600D+01  0.167829D+00 -0.112512D+01 -0.349988D+00  0.821654D-01
      3   0.167829D+00 -0.171656D+01  0.113147D+00  0.821654D-01  0.230666D+00
               241           242           243 
      1   0.526163D+01  0.434231D+00 -0.208691D+01
      2   0.434231D+00  0.696123D+00  0.247227D-01
      3  -0.208691D+01  0.247227D-01  0.164269D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524319D+01  0.877032D+01  0.632466D+01  0.821305D+01  0.884880D+01
      2  -0.698407D+01  0.174316D+01  0.757624D+01  0.588544D+01  0.144302D+01
      3  -0.313724D+01 -0.870042D+01  0.176875D+01 -0.696810D+00 -0.565983D+01
                 6             7             8             9            10 
      1  -0.101094D+01  0.633023D+01  0.557682D+01 -0.472826D+01  0.575210D+01
      2  -0.586428D+01  0.332160D+01 -0.581199D+01 -0.388765D+01  0.181241D+02
      3  -0.981190D+01  0.599579D+00 -0.114828D+02 -0.113781D+01  0.992134D+01
                11            12            13            14            15 
      1  -0.508271D+01 -0.366723D+00 -0.825572D+01 -0.497083D+01 -0.513792D+01
      2  -0.840413D+01  0.244717D+01 -0.122572D+02 -0.378878D+01 -0.113378D+01
      3  -0.280570D+01  0.698740D+01  0.627525D+01  0.101986D+02  0.999828D+01
                16            17            18            19            20 
      1   0.427380D+01  0.352885D+01 -0.579459D+00 -0.447566D+00  0.323511D+01
      2   0.363886D+01 -0.254668D+00  0.261799D+01 -0.297015D+02 -0.106802D+01
      3   0.990970D+01  0.103209D+02  0.642074D+00 -0.183655D+02 -0.441942D+01
                21            22            23            24            25 
      1  -0.119617D+01  0.132388D+02  0.383317D+01 -0.166465D+01 -0.492864D+01
      2   0.181490D+01  0.169581D+01 -0.649215D+01  0.354549D+01 -0.142967D+02
      3  -0.215743D+01  0.353824D+01 -0.716822D+01  0.268936D+01 -0.351484D+01
                26            27            28            29            30 
      1   0.463171D+01 -0.360508D+01 -0.497044D+01  0.274090D+00  0.834919D-01
      2   0.218300D+01  0.188930D+01  0.395025D+02  0.458413D+01 -0.393782D+01
      3   0.531919D+00 -0.943834D+00  0.188038D+02  0.881990D+01 -0.124267D+01
                31            32            33            34            35 
      1  -0.320153D+01 -0.261349D+01 -0.270576D+01  0.193787D+01 -0.356588D+00
      2   0.119903D+02  0.334275D+01 -0.105587D+01 -0.137174D+02 -0.117663D+01
      3   0.350158D+02  0.724606D+01  0.395125D+00 -0.172422D+01 -0.624048D+00
                36            37            38            39            40 
      1   0.324217D+01  0.352262D+01  0.101511D+01 -0.723088D+00  0.770661D+01
      2   0.145063D+01 -0.453075D+02 -0.379568D+01  0.128434D+02 -0.128882D+02
      3  -0.305353D+00 -0.155122D+02 -0.115367D+02  0.158331D+01 -0.938609D+01
                41            42            43            44            45 
      1   0.757014D+00 -0.486989D+01  0.187431D+01 -0.477938D-01  0.819641D+00
      2  -0.253688D+01 -0.120723D+01 -0.136615D+02 -0.347999D+01 -0.613252D+01
      3  -0.581107D+01 -0.110019D+01  0.214516D+00  0.555460D+00  0.932592D+00
                46            47            48            49            50 
      1  -0.113503D+00 -0.224703D+01  0.245448D+01  0.560313D+01 -0.370193D+01
      2   0.118063D+02  0.287297D+01 -0.447799D+01 -0.460783D+01  0.217996D+01
      3   0.662207D+00  0.123277D+02 -0.434270D+01  0.235092D+02  0.173986D+01
                51            52            53            54            55 
      1  -0.725659D+01  0.228696D+01 -0.379297D+01  0.223872D+01 -0.125840D+01
      2   0.610419D+01 -0.473760D+02  0.337300D+00  0.279427D+02 -0.195894D+01
      3  -0.171216D+01 -0.598012D+01 -0.891294D+01 -0.138738D+01  0.284190D+00
                56            57            58            59            60 
      1   0.682382D+00 -0.578327D+00  0.448128D-01  0.261105D+01 -0.160862D+01
      2   0.153816D+01  0.755520D+01  0.814755D+01 -0.856074D+01 -0.780786D+01
      3  -0.698239D+01 -0.489313D+00 -0.585004D+01  0.583600D+01  0.780399D+01
                61            62            63            64            65 
      1  -0.136150D+01  0.875736D+01 -0.356630D+00 -0.505056D+01  0.543371D+01
      2   0.280908D+02 -0.380042D+01 -0.438257D+02 -0.147270D+02  0.153469D+02
      3   0.489926D+01  0.124686D+02  0.269402D+01 -0.155813D+01 -0.403486D+01
                66            67            68            69            70 
      1  -0.476778D+01  0.759379D+01  0.272202D+01 -0.753700D+01 -0.753089D+01
      2   0.157890D+01  0.146909D+02  0.115920D+02  0.228214D+01 -0.100570D+02
      3  -0.106500D+02  0.558703D+01 -0.601228D+01 -0.176788D+02 -0.115391D+02
                71            72            73            74            75 
      1  -0.178213D+01  0.357437D+01 -0.155308D+01  0.520884D+01 -0.468200D+01
      2   0.483951D+01  0.680280D+01  0.746077D+01  0.203998D+01  0.120783D+02
      3  -0.165106D+02  0.106083D+01 -0.181206D+01 -0.120486D+02  0.526686D+00
                76            77            78            79            80 
      1   0.193605D+01  0.104525D+01  0.425904D+01 -0.387318D+01  0.878301D+01
      2   0.568068D+00  0.571094D+01 -0.302620D+01  0.439530D+01 -0.524038D+01
      3  -0.554023D+01 -0.106088D+02 -0.111355D+02  0.194269D+01 -0.100312D+02
                81            82            83            84            85 
      1   0.175210D+01 -0.355358D+01 -0.121402D+02  0.695219D+01 -0.141702D+02
      2  -0.138328D+02  0.729134D+01  0.652447D+01 -0.253312D+01  0.774059D+01
      3   0.867969D+01  0.202315D+01 -0.693769D+01 -0.505324D+01  0.589447D+01
                86            87            88            89            90 
      1   0.101502D+01 -0.323861D+01  0.467629D+01  0.280099D+01 -0.867322D+00
      2   0.424247D+01  0.177517D+01 -0.268451D+01  0.251597D+01 -0.117903D+01
      3   0.143500D+02  0.663329D+01 -0.296002D-01  0.122770D+02 -0.800737D+01
                91            92            93            94            95 
      1  -0.337330D+00  0.219964D+01  0.121018D+01 -0.612752D+01 -0.262369D+01
      2   0.178117D+02  0.261836D+01 -0.511304D+01  0.289449D+01 -0.151868D+02
      3  -0.656651D+01 -0.100955D+02 -0.242232D+01  0.131047D+02  0.183936D+02
                96            97            98            99           100 
      1  -0.826371D+01  0.466532D+01 -0.102410D+01  0.363515D+01 -0.829545D+00
      2   0.693747D+01 -0.243749D+02  0.300852D+01 -0.137622D+02 -0.475208D+01
      3   0.201122D+02 -0.391520D+01  0.116182D+02 -0.672109D+01  0.659133D+01
               101           102           103           104           105 
      1   0.210206D+01 -0.182448D+01  0.297049D+00  0.129913D+00 -0.136619D+01
      2  -0.179007D+00  0.553546D+01 -0.641022D+00 -0.794721D+00  0.728303D+00
      3  -0.699238D+01  0.832658D+00 -0.387537D+00 -0.133129D+00  0.588825D+00
               106           107           108           109           110 
      1  -0.893459D+00  0.109008D+00 -0.673076D+00 -0.682364D+00 -0.193965D+01
      2   0.112233D+01  0.983784D+00  0.231827D+01  0.406708D+01 -0.108588D+01
      3   0.193997D+00  0.680755D+00 -0.171302D+00 -0.173274D+01  0.210633D+01
               111           112           113           114           115 
      1   0.226445D+01 -0.877952D+00 -0.784485D+00 -0.152429D+01  0.355838D+00
      2  -0.605463D+01 -0.437802D+00  0.276185D+01  0.242130D+01 -0.526936D+01
      3   0.171076D+01  0.220700D+01 -0.893031D+00 -0.173777D+01  0.181428D+01
               116           117           118           119           120 
      1   0.285072D+01 -0.735888D+01  0.111517D+01  0.425020D+00  0.155901D+00
      2   0.409588D+01  0.221354D+02 -0.238659D+01 -0.566214D+00  0.433689D+00
      3  -0.391040D+01 -0.448116D+01  0.290949D+00 -0.117406D+01 -0.439431D+00
               121           122           123           124           125 
      1   0.697901D+00  0.161577D+01  0.279284D+00 -0.171295D+00  0.494280D+01
      2  -0.163848D+01 -0.410900D+00 -0.138839D+01 -0.467160D+01 -0.433075D+00
      3   0.266474D+01  0.318182D+00  0.631729D+00 -0.620501D+00  0.287254D+00
               126           127           128           129           130 
      1   0.353275D+01 -0.714015D+00  0.305415D+01  0.227718D+01  0.146841D+01
      2  -0.652795D+01 -0.566050D+00 -0.617336D+00  0.268375D+00 -0.133601D+01
      3   0.633894D+00 -0.845948D+01  0.874884D+01  0.113353D+01  0.865764D+01
               131           132           133           134           135 
      1  -0.464161D+01 -0.531654D+01 -0.357329D-01 -0.249144D+01 -0.244740D+01
      2   0.314524D+00  0.583985D+00 -0.950121D+00  0.179089D+01  0.972098D+00
      3  -0.173254D+02 -0.179807D+01  0.284051D+01 -0.546224D+01 -0.192688D+01
               136           137           138           139           140 
      1   0.339841D+01  0.180892D+01 -0.545100D+01  0.221803D+01  0.191363D+01
      2  -0.723493D+00 -0.174815D+01  0.464134D+01 -0.190758D+01 -0.214976D+01
      3   0.360571D+01 -0.238297D+01 -0.957018D+00  0.237949D+00 -0.325826D+01
               141           142           143           144           145 
      1  -0.321269D+01 -0.458325D+01 -0.988962D+00  0.936363D+01  0.568813D+01
      2   0.251010D+01 -0.164020D+00  0.289588D+01 -0.620158D+01  0.104032D+02
      3   0.466383D+00 -0.423187D+01  0.168367D+01  0.882776D+00  0.587805D+01
               146           147           148           149           150 
      1  -0.410223D+01 -0.477762D+01 -0.375279D+01  0.288902D+01  0.134364D+01
      2  -0.148001D+01 -0.507632D+01 -0.458938D+01  0.186678D+01  0.260717D+01
      3  -0.420852D+00 -0.333310D+01  0.248540D+00  0.626394D+00  0.927888D+00
               151           152           153           154           155 
      1  -0.495708D+01  0.367249D+01  0.726431D+01  0.168991D+01  0.607390D+00
      2  -0.841984D+01  0.107458D+01  0.844049D+01 -0.249834D+01 -0.108630D+01
      3  -0.353910D+01  0.110076D+01  0.392637D+01 -0.465218D+01 -0.298540D+01
               156           157           158           159           160 
      1   0.336802D+01 -0.177390D+00 -0.120368D+01 -0.222927D+01  0.119001D+01
      2   0.375622D+01  0.183439D+01  0.434018D+00 -0.731701D+00 -0.190997D+01
      3  -0.424975D+00  0.234549D+01  0.272727D+01  0.234230D+00 -0.271523D+01
               161           162           163           164           165 
      1   0.347960D+00  0.381575D+01 -0.222239D+01 -0.449625D+01 -0.342156D+01
      2  -0.670054D+00  0.367631D+01  0.185912D+01  0.138087D+01  0.105128D+00
      3  -0.889095D-01 -0.302513D+00  0.755408D+01  0.602190D+01  0.135506D+01
               166           167           168           169           170 
      1  -0.314738D+01 -0.923797D+01 -0.592617D+01 -0.220353D+01 -0.370496D+01
      2   0.106427D+01  0.179774D+01 -0.779713D-01 -0.110425D+01  0.380184D-01
      3   0.756234D+01  0.132859D+02  0.234595D+01  0.402451D+01  0.666606D+01
               171           172           173           174           175 
      1  -0.459274D+01 -0.236023D+01 -0.250974D+01  0.251893D+01 -0.237694D+01
      2  -0.292864D+00 -0.124740D+01 -0.234369D+01  0.428856D+01 -0.249753D+01
      3   0.282231D+01 -0.379770D+01 -0.430890D+01  0.451381D+01 -0.293294D+01
               176           177           178           179           180 
      1  -0.729073D+01  0.363741D+01  0.335813D+01  0.636817D+01 -0.535059D+01
      2  -0.516009D+01  0.749231D+01  0.278789D+01  0.378945D+01 -0.113248D+02
      3  -0.109264D+02  0.715305D+01  0.447963D+01  0.831979D+01 -0.651840D+01
               181           182           183           184           185 
      1   0.657143D+00  0.791448D+00 -0.117409D+01 -0.550788D-02  0.266451D+01
      2  -0.256440D+01 -0.513345D+01 -0.391063D+01 -0.327178D+01 -0.983362D+01
      3   0.453284D+01  0.591633D+01  0.451822D+01  0.331104D+01  0.164888D+02
               186           187           188           189           190 
      1  -0.236578D+01  0.557290D+00  0.216789D+01 -0.250112D+01  0.466510D+01
      2  -0.841129D+01 -0.198380D+01 -0.795645D+01 -0.997569D+01  0.112964D+02
      3   0.988322D+01  0.264242D+01  0.101130D+02  0.773484D+01  0.215248D+00
               191           192           193           194           195 
      1  -0.274563D+01  0.336153D+01 -0.281369D+01  0.173505D+01 -0.196891D+01
      2  -0.543341D+01  0.856293D+01 -0.484529D+01  0.210093D+01 -0.369238D+01
      3  -0.632485D+01  0.106803D+01 -0.260144D+01  0.529138D+01  0.662532D+00
               196           197           198           199           200 
      1   0.278961D+01 -0.395779D+00  0.241288D+01  0.226611D+00 -0.467614D+00
      2   0.642828D+01 -0.312722D+01  0.625484D+01  0.943195D+00  0.303072D+00
      3   0.170974D+01 -0.273762D+01  0.571029D+00  0.892202D+00  0.958957D-01
               201           202           203           204           205 
      1   0.103653D+00 -0.470107D+01  0.375878D-01 -0.124015D+01  0.608432D+00
      2  -0.528484D+00 -0.169655D+01 -0.201713D+01 -0.101402D+00 -0.448910D+01
      3   0.394709D+00  0.114845D+01  0.510835D+00  0.941886D+00  0.232352D+01
               206           207           208           209           210 
      1   0.309032D+01 -0.351473D+01  0.162396D+01  0.357800D-01  0.656223D-01
      2   0.684381D+00 -0.284658D+01  0.109320D+01 -0.349387D+00 -0.651773D+00
      3   0.169316D+01 -0.470897D-01 -0.288924D+01 -0.795989D+00 -0.119383D+00
               211           212           213           214           215 
      1  -0.623497D+01  0.573212D+00 -0.122587D+00  0.208266D+01  0.463188D+01
      2   0.139196D+01  0.176761D+01  0.261725D+01 -0.349326D+01  0.235872D+01
      3   0.973056D+01 -0.195662D+00 -0.179010D+01 -0.292902D+01 -0.306018D+01
               216           217           218           219           220 
      1   0.379594D+00 -0.221547D+00 -0.691145D+00 -0.193255D+00  0.199790D+01
      2   0.105475D+02 -0.852102D+00 -0.178589D+01  0.541329D+00 -0.714531D+00
      3  -0.310959D+01  0.551802D+00  0.313430D+01  0.219380D+01 -0.667222D+01
               221           222           223           224           225 
      1   0.579927D+01 -0.334874D+00  0.161940D-01  0.226170D+01  0.490765D-02
      2   0.958533D+01  0.792836D+01  0.357799D+01  0.588918D+01  0.805284D+01
      3  -0.327603D+02 -0.125043D+02 -0.949767D+00 -0.928664D+01 -0.659930D+01
               226           227           228           229           230 
      1  -0.328981D+00  0.607606D+00 -0.851149D+00  0.238934D+01 -0.302254D+01
      2  -0.868153D-01 -0.143322D+01  0.406973D+01 -0.413071D+01  0.852343D+01
      3   0.138116D+01 -0.290264D+01  0.197928D+01 -0.772120D+01  0.730090D+01
               231           232           233           234           235 
      1   0.254951D+01 -0.257631D+01  0.451549D+01 -0.466599D+01  0.154757D+01
      2  -0.121634D+02  0.891298D+01 -0.713958D+01  0.245259D+02 -0.157734D+02
      3  -0.111179D+02  0.438264D+01 -0.994977D+01  0.101583D+02  0.258712D+01
               236           237           238           239           240 
      1   0.170606D+00 -0.113306D+01  0.908341D+00  0.352952D+00 -0.519294D+00
      2  -0.894591D+00  0.115385D+02 -0.443787D+00 -0.731739D+00 -0.871478D+00
      3  -0.661440D+01 -0.483427D+00 -0.272624D+01 -0.853141D+00  0.446909D+00
               241           242           243 
      1  -0.118026D+01  0.840069D+00  0.754313D+00
      2   0.982365D+01 -0.102763D+00 -0.936591D+01
      3  -0.288369D+00  0.374083D+01  0.920321D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.745055D+01  0.707979D+01 -0.633637D+01  0.304588D+01  0.344439D+01
      2  -0.135903D+01 -0.161654D+02 -0.827620D+01 -0.113449D+02 -0.137486D+02
      3  -0.609152D+01  0.908560D+01  0.146126D+02  0.829904D+01  0.103042D+02
      4   0.141145D+02 -0.878181D+01  0.221437D+02 -0.627336D+01  0.743094D+01
      5  -0.178714D+02  0.184451D+02 -0.831385D+01  0.181473D+02  0.290587D+01
      6   0.137750D+02 -0.152797D+02  0.771803D+01 -0.107183D+02 -0.638869D+01
                 6             7             8             9            10 
      1   0.201055D+02 -0.623362D+01  0.203075D+02  0.201326D+01  0.350940D+00
      2  -0.151918D+02 -0.955301D+01 -0.176384D+02  0.354098D+01  0.862438D+01
      3  -0.491366D+01  0.157866D+02 -0.266906D+01 -0.555424D+01 -0.897532D+01
      4  -0.669749D+01  0.230218D+02 -0.945253D+01  0.270136D+01 -0.155131D+02
      5   0.606563D+01 -0.782691D+01  0.848836D+01 -0.636927D+01  0.128767D+02
      6   0.321842D+01  0.674556D+01  0.186017D+01  0.218549D+01 -0.102611D+02
                11            12            13            14            15 
      1  -0.464388D+01  0.673149D+01 -0.840275D+01 -0.785227D+01 -0.202394D+02
      2   0.347387D+01  0.929305D-01  0.399306D+01  0.117175D+02  0.921598D+01
      3   0.117001D+01 -0.682442D+01  0.440969D+01 -0.386519D+01  0.110234D+02
      4   0.370733D+01 -0.181535D+02  0.740369D+01 -0.232987D+02 -0.773679D+01
      5  -0.156790D+02 -0.633940D+01 -0.175054D+02 -0.160111D+02 -0.281418D+00
      6   0.877181D+01 -0.141920D+01 -0.172058D+01  0.143267D+01 -0.614795D+01
                16            17            18            19            20 
      1   0.542212D+01 -0.189734D+02 -0.674512D+01  0.428497D+02  0.834623D+01
      2   0.718853D+01  0.112904D+02 -0.151138D+01 -0.432901D+02 -0.118451D+02
      3  -0.126107D+02  0.768297D+01  0.825650D+01  0.440405D+00  0.349887D+01
      4  -0.259207D+02 -0.268495D+01  0.955205D-01  0.316932D+00 -0.103243D+02
      5  -0.711332D+01 -0.144010D+00  0.365121D+01  0.566798D+01  0.277265D+01
      6  -0.182323D+01 -0.348815D+01 -0.240177D+00  0.729550D+01 -0.179020D+01
                21            22            23            24            25 
      1   0.287251D+01  0.185452D+02  0.457831D+01  0.541971D+01  0.193053D+01
      2  -0.195785D+01 -0.181577D+02 -0.113953D+02  0.167494D+01 -0.542638D+01
      3  -0.914664D+00 -0.387500D+00  0.681694D+01 -0.709466D+01  0.349585D+01
      4   0.401600D+01 -0.320665D+02 -0.426267D+01 -0.250868D+01  0.106619D+02
      5   0.489678D+01  0.215082D+01  0.251694D+01  0.364953D+01  0.430419D+01
      6   0.196919D+01  0.669393D+01  0.442701D+01  0.172471D+01  0.195588D+01
                26            27            28            29            30 
      1   0.813412D+01  0.163951D+02 -0.119996D+03 -0.633953D+01  0.562607D+01
      2  -0.225693D+01  0.652070D+01  0.883007D+02  0.455318D+01 -0.250149D+01
      3  -0.587719D+01 -0.229158D+02  0.316955D+02  0.178635D+01 -0.312458D+01
      4  -0.593767D+01  0.652680D+01  0.415808D+01 -0.100047D+02  0.176408D+01
      5   0.423107D+01  0.594851D+01 -0.703917D+01  0.161543D+01 -0.112320D+02
      6   0.509531D+00 -0.119586D+00 -0.133402D+02 -0.542090D+01  0.143910D+01
                31            32            33            34            35 
      1  -0.287273D+02 -0.227415D+02  0.657367D+01 -0.259272D+02  0.245342D+01
      2   0.242078D+02  0.221325D+02 -0.479359D+01  0.162413D+02 -0.310057D+01
      3   0.451946D+01  0.609014D+00 -0.178008D+01  0.968586D+01  0.647149D+00
      4  -0.257913D+01 -0.658917D+01  0.175420D+01 -0.172939D+01  0.582661D+00
      5  -0.712140D+00 -0.206846D+00 -0.208091D+01  0.814471D+00  0.159973D+01
      6  -0.328680D+01 -0.648988D+01  0.469132D+01 -0.134772D+01  0.622855D-01
                36            37            38            39            40 
      1  -0.311197D+01  0.146195D+03  0.105177D+02 -0.911057D+01  0.292253D+02
      2  -0.280153D+01 -0.104332D+03 -0.653767D+01  0.636120D+01 -0.149435D+02
      3   0.591349D+01 -0.418628D+02 -0.398004D+01  0.274937D+01 -0.142817D+02
      4   0.159626D+01 -0.359335D+01  0.161605D+02 -0.116633D+01  0.290589D+02
      5   0.259237D+01 -0.765450D+01 -0.237557D+01  0.199803D+02 -0.423955D+01
      6  -0.493480D+01  0.155558D+02  0.550339D+01 -0.293888D+01  0.113477D+02
                41            42            43            44            45 
      1   0.886131D+00  0.266453D+01  0.285909D+02  0.858065D+01  0.126459D+02
      2   0.426105D+01  0.302457D+01 -0.178300D+02 -0.348056D+01 -0.752646D+00
      3  -0.514718D+01 -0.568910D+01 -0.107609D+02 -0.510009D+01 -0.118933D+02
      4   0.604283D+01  0.368939D+01 -0.168601D+01  0.335964D+01 -0.635553D+01
      5   0.400244D+01 -0.468973D+01  0.249753D+02 -0.448766D+01 -0.856444D+01
      6   0.743277D+00  0.493195D+01 -0.235312D+01  0.312953D+01 -0.542969D+01
                46            47            48            49            50 
      1  -0.612300D+02 -0.489844D+01 -0.836373D+01  0.983264D+00 -0.270949D+01
      2   0.446047D+02 -0.186893D+01  0.152572D+01 -0.551415D+01  0.623201D+01
      3   0.166254D+02  0.676737D+01  0.683802D+01  0.453089D+01 -0.352252D+01
      4  -0.582560D+01 -0.158800D+02 -0.434671D+01  0.221664D+01  0.142462D+01
      5   0.101788D+01 -0.160321D+01 -0.151095D+02 -0.215441D+02  0.555056D+01
      6  -0.113539D+02 -0.238261D+01 -0.594967D+00  0.159274D+01 -0.444367D+01
                51            52            53            54            55 
      1  -0.773328D+01  0.439848D+02 -0.339360D+01 -0.146751D+02  0.276731D+02
      2   0.917492D+01 -0.422358D+02 -0.144938D+01  0.196342D+02 -0.162773D+02
      3  -0.144164D+01 -0.174901D+01  0.484298D+01 -0.495914D+01 -0.113958D+02
      4   0.692946D+01 -0.225883D+02  0.562292D+01  0.973658D+01 -0.661138D+01
      5   0.717097D+01 -0.564799D+02  0.502820D+01  0.438839D+02 -0.185743D+02
      6   0.394495D+01  0.115682D+02 -0.598690D+01 -0.661939D+01  0.176525D+01
                56            57            58            59            60 
      1  -0.266247D+01 -0.101859D+02 -0.213869D+02 -0.111611D+01  0.276648D+01
      2   0.258195D+01  0.698833D+01  0.137487D+02  0.135647D+01 -0.290161D+01
      3   0.805135D-01  0.319753D+01  0.763815D+01 -0.240363D+00  0.135131D+00
      4   0.119929D+02  0.487879D+01  0.214073D+02 -0.138546D+02 -0.204368D+02
      5   0.407576D+01  0.202194D+02  0.165535D+02 -0.201076D+02 -0.108987D+02
      6  -0.127263D+01 -0.137340D+01 -0.970665D+01  0.777199D+01  0.133032D+02
                61            62            63            64            65 
      1  -0.681528D+02 -0.372407D+01  0.649188D+00 -0.304215D+02  0.197240D+02
      2   0.530514D+02  0.259282D+01 -0.304218D+02  0.685567D+01 -0.414402D+01
      3   0.151014D+02  0.113126D+01  0.297726D+02  0.235658D+02 -0.155799D+02
      4   0.124507D+02 -0.156821D+02 -0.141267D+02  0.213346D+02 -0.642968D+01
      5   0.646462D+02 -0.857008D+01 -0.753227D+02 -0.150364D+02  0.219757D+02
      6  -0.101984D+02  0.143131D+02  0.855247D+01  0.786926D+01 -0.988663D+01
                66            67            68            69            70 
      1  -0.107461D+02  0.144660D+02  0.451306D+01  0.327975D+02 -0.200894D+02
      2  -0.117088D+01  0.127010D+01 -0.282182D+00 -0.240905D+02  0.892430D+00
      3   0.119169D+02 -0.157361D+02 -0.423088D+01 -0.870695D+01  0.191969D+02
      4   0.266441D+02 -0.109485D+02  0.704200D+01  0.121015D+02  0.318670D+02
      5   0.548051D+01  0.227504D+02  0.170537D+02 -0.121760D+02  0.259878D+01
      6  -0.802608D+01 -0.573459D+01 -0.105379D+02 -0.848374D+01 -0.656708D+01
                71            72            73            74            75 
      1   0.337344D+02  0.225796D+01 -0.495030D+02 -0.149127D+02 -0.130962D+02
      2  -0.242252D+02  0.123339D+01  0.213099D+02  0.815932D+01 -0.264171D+01
      3  -0.950916D+01 -0.349135D+01  0.281932D+02  0.675343D+01  0.157379D+02
      4   0.916366D+01 -0.526642D+01 -0.203518D+02  0.143058D+01 -0.301627D+01
      5  -0.893160D+01  0.732121D+01 -0.160153D+02 -0.346112D+01  0.885616D+01
      6  -0.882553D+01 -0.653655D+00 -0.282388D+01 -0.312516D+01  0.579795D+01
                76            77            78            79            80 
      1  -0.135312D+02  0.986857D+01 -0.355849D+01 -0.295924D+01 -0.236979D+01
      2   0.105421D+02 -0.482470D+01  0.100296D+02 -0.526533D+01  0.747886D+01
      3   0.298910D+01 -0.504387D+01 -0.647108D+01  0.822458D+01 -0.510907D+01
      4   0.102962D+02  0.241049D+02  0.133269D+02  0.374643D+00  0.599722D+01
      5  -0.523991D+01  0.203455D+02 -0.472500D+01  0.118971D+02 -0.554241D+01
      6   0.424381D+01  0.927674D+01  0.176132D+01  0.480297D+01 -0.365868D+00
                81            82            83            84            85 
      1   0.205692D+02 -0.930068D+01 -0.972589D+01 -0.875853D+01 -0.100166D+02
      2  -0.120629D+01  0.157642D+02  0.242026D+02  0.134739D+02  0.212398D+02
      3  -0.193629D+02 -0.646347D+01 -0.144767D+02 -0.471535D+01 -0.112231D+02
      4  -0.249310D+01  0.833395D+01  0.905686D+01  0.106465D+02  0.192825D+02
      5  -0.114379D+02  0.273240D+01  0.112674D+02 -0.143128D+02  0.116768D+02
      6  -0.831281D+01  0.200291D+01  0.129582D+02 -0.122614D+02  0.561797D+01
                86            87            88            89            90 
      1   0.117128D+02  0.918437D+01 -0.256915D+02  0.104830D+02 -0.852801D+01
      2  -0.124750D+02 -0.796799D+01  0.285263D+02 -0.858071D+01  0.483929D+01
      3   0.762205D+00 -0.121638D+01 -0.283480D+01 -0.190224D+01  0.368872D+01
      4   0.868014D+01  0.578581D+01  0.204492D+02  0.126002D+02 -0.974245D+01
      5  -0.838320D+00 -0.760659D+00 -0.191824D+02 -0.563234D+01  0.589449D+01
      6  -0.567847D+01 -0.320430D+01 -0.157037D+02 -0.529068D+01  0.729491D+01
                91            92            93            94            95 
      1  -0.169555D+02  0.685540D+01  0.380570D+02  0.168879D+02  0.112838D+02
      2   0.675414D+01 -0.157827D+01 -0.179574D+02 -0.144082D+02 -0.938919D+01
      3   0.102013D+02 -0.527713D+01 -0.200996D+02 -0.247972D+01 -0.189459D+01
      4   0.122857D+02  0.126106D+02  0.108218D+02 -0.435450D+01 -0.283292D+02
      5   0.433870D+02  0.990300D+01 -0.284746D+01  0.120851D+02 -0.264950D+02
      6   0.639173D+01  0.438260D+01  0.231661D+01 -0.349817D+01 -0.963010D+01
                96            97            98            99           100 
      1   0.978971D+01  0.540547D+02  0.897132D+01 -0.201736D+02  0.840997D+02
      2  -0.155386D+02 -0.254096D+02 -0.115834D+02  0.146092D+02 -0.419144D+02
      3   0.574889D+01 -0.286451D+02  0.261212D+01  0.556443D+01 -0.421854D+02
      4  -0.285339D+02  0.116045D+02 -0.218879D+02  0.106010D+02  0.323369D+02
      5   0.169336D+02 -0.237483D+02  0.108823D+02 -0.282243D+02  0.260865D+02
      6  -0.861546D+01  0.347772D+01 -0.472984D+01  0.566591D+01  0.694159D+01
               101           102           103           104           105 
      1   0.136403D+02  0.135164D+02  0.596083D+01  0.695852D+01  0.105898D+01
      2  -0.365523D+01 -0.870562D+01 -0.226395D+00  0.525125D+00 -0.104971D+01
      3  -0.998512D+01 -0.481080D+01 -0.573444D+01 -0.748365D+01 -0.926833D-02
      4   0.193832D+02  0.720203D+01  0.150267D+02  0.669519D+01  0.222965D+01
      5   0.606653D+01  0.156682D+02  0.303257D+01  0.173693D+01  0.193101D+01
      6   0.431801D+01  0.409697D+01  0.300503D+01  0.593082D+00  0.238305D+01
               106           107           108           109           110 
      1   0.248295D+01  0.835957D+00  0.512515D+01  0.142262D+01  0.452269D+01
      2  -0.264664D+01 -0.206320D+01 -0.529625D+01 -0.296373D+01 -0.280897D+01
      3   0.163688D+00  0.122724D+01  0.171096D+00  0.154111D+01 -0.171372D+01
      4   0.202489D+01 -0.469924D+00  0.452852D+01  0.191430D+01 -0.210773D+01
      5   0.114491D+02  0.356157D+01  0.688412D+01  0.309334D+01  0.990573D-01
      6   0.296111D+01  0.197161D+01  0.295452D+01  0.280832D+01 -0.273729D+01
               111           112           113           114           115 
      1   0.100958D+02  0.196977D+01 -0.635938D+01 -0.306951D+01  0.770711D+01
      2   0.475319D+00 -0.135242D+01  0.229200D+01  0.115038D+01 -0.439416D+01
      3  -0.105711D+02 -0.617348D+00  0.406738D+01  0.191913D+01 -0.331295D+01
      4   0.112645D+01  0.146472D+01  0.101510D+01  0.302468D+01  0.351866D+01
      5  -0.373976D+01  0.131251D+01  0.188851D+01  0.369463D+01  0.621191D+01
      6  -0.471421D+01 -0.674213D+00  0.393564D+01  0.899268D+01  0.103713D+01
               116           117           118           119           120 
      1  -0.558871D+01 -0.228396D+02  0.127693D+00 -0.101685D+00 -0.261258D+01
      2   0.847461D+00 -0.123339D+02 -0.402757D+01 -0.115633D+00 -0.544040D+00
      3   0.474125D+01  0.351734D+02  0.389987D+01  0.217318D+00  0.315662D+01
      4   0.760757D+01  0.670525D+01 -0.116978D+01  0.246972D+01 -0.618700D-01
      5   0.757599D+01  0.324890D+02  0.261058D-01  0.939485D+00  0.627340D+01
      6   0.966745D+01  0.190690D+02  0.614416D+00  0.390490D+00 -0.289583D+00
               121           122           123           124           125 
      1   0.745118D+00 -0.615722D+01 -0.408083D+01 -0.187870D+01 -0.116528D+01
      2  -0.573606D+00  0.229953D+01 -0.199784D+01  0.890998D+00 -0.228554D+01
      3  -0.171511D+00  0.385768D+01  0.607867D+01  0.987705D+00  0.345082D+01
      4   0.178265D+01 -0.178627D+01 -0.153975D+01 -0.243981D+00 -0.273848D+01
      5   0.143212D+01 -0.190302D+01 -0.239319D+01  0.591224D+01 -0.159548D+01
      6   0.195143D+00  0.122353D+01  0.611299D+01 -0.536162D+00  0.572241D+01
               126           127           128           129           130 
      1  -0.249074D+02 -0.681972D+01  0.186323D+02  0.235714D+01  0.983762D+01
      2  -0.128259D+02  0.866990D+01 -0.261993D+02 -0.318875D+01 -0.123633D+02
      3   0.377333D+02 -0.185018D+01  0.756705D+01  0.831613D+00  0.252565D+01
      4  -0.326143D+01 -0.441862D+01  0.163581D+01 -0.644014D+00  0.599884D+01
      5  -0.113788D+02  0.453971D+00 -0.119313D+01  0.125078D+01 -0.111509D+01
      6  -0.944815D+00  0.127465D+01 -0.266963D+01 -0.253095D+01 -0.120994D+01
               131           132           133           134           135 
      1  -0.347648D+02 -0.335663D+01  0.476042D+01 -0.961181D+01 -0.511911D+01
      2   0.534663D+02  0.481877D+01 -0.454308D+01  0.133711D+02  0.581178D+01
      3  -0.187015D+02 -0.146214D+01 -0.217341D+00 -0.375930D+01 -0.692675D+00
      4   0.998772D+01  0.998684D-01  0.655615D+00  0.242724D+01  0.252297D+01
      5   0.106183D+01  0.270394D+01  0.336156D+01  0.303361D+01  0.836922D+00
      6   0.445045D+01  0.798071D+01  0.521812D+00  0.960660D+01  0.365528D+01
               136           137           138           139           140 
      1   0.114302D+02  0.115329D+01 -0.213131D+01  0.316491D+01 -0.625879D+01
      2  -0.394580D+01  0.327998D+01 -0.670584D+00  0.316266D+00  0.118358D+02
      3  -0.748436D+01 -0.443326D+01  0.280189D+01 -0.348118D+01 -0.557698D+01
      4   0.170365D+02  0.150504D+02 -0.112544D+02  0.111711D+02  0.136469D+02
      5  -0.150914D+02 -0.947835D+01  0.159541D+02 -0.641304D+01 -0.929888D+01
      6  -0.947749D+01 -0.902558D+01  0.108630D+02 -0.716680D+01 -0.104991D+02
               141           142           143           144           145 
      1   0.253841D+01  0.357558D-01  0.645426D+01 -0.583844D+01 -0.676647D+01
      2  -0.434368D+01 -0.292991D+01 -0.881204D+01  0.929829D-01 -0.326194D+01
      3   0.180527D+01  0.289416D+01  0.235779D+01  0.574546D+01  0.100284D+02
      4  -0.980346D+01 -0.177690D+02 -0.168523D+02  0.153736D+02  0.653333D+01
      5   0.809485D+01  0.184071D+02  0.134551D+02 -0.228854D+02 -0.241193D+01
      6   0.100915D+02  0.141555D+02  0.167071D+02 -0.217428D+02 -0.339309D+01
               146           147           148           149           150 
      1  -0.379723D+01  0.109923D+02  0.869804D+00 -0.196388D+01 -0.560049D+01
      2   0.608634D+01  0.383622D+01  0.320890D+01 -0.508717D-01 -0.143961D+01
      3  -0.228911D+01 -0.148285D+02 -0.407870D+01  0.201475D+01  0.704010D+01
      4  -0.896875D+00 -0.589877D+01 -0.180333D+01  0.268851D+01  0.152544D+01
      5  -0.119743D+01  0.124060D+01 -0.590805D+00 -0.545847D+00  0.246582D+01
      6  -0.232405D+01  0.582701D+01 -0.133540D+01  0.250906D+01  0.854472D+00
               151           152           153           154           155 
      1   0.836934D+01 -0.643503D+00 -0.163004D+02  0.163881D+02 -0.164171D+01
      2   0.374916D+01 -0.220903D+01 -0.782965D+01 -0.811432D+01 -0.348855D+01
      3  -0.121185D+02  0.285253D+01  0.241301D+02 -0.827381D+01  0.513027D+01
      4  -0.785270D+01  0.282197D+01  0.459133D+01 -0.275009D+02  0.223407D+02
      5   0.403152D+01 -0.126482D+01  0.391181D+01  0.244991D+02 -0.143518D+02
      6   0.275165D+01  0.458827D+01 -0.908936D+01 -0.132371D+02  0.135240D+02
               156           157           158           159           160 
      1   0.220032D+01 -0.179361D+01 -0.338045D+01  0.151284D+01  0.409912D+01
      2  -0.391088D+01 -0.168893D+01  0.938177D+01 -0.163695D+01 -0.409836D+01
      3   0.171055D+01  0.348254D+01 -0.600132D+01  0.124109D+00 -0.762027D-03
      4  -0.164305D+02  0.157118D+02 -0.167663D+02  0.103850D+02 -0.140271D+02
      5   0.208990D+02 -0.933206D+01  0.923086D+01 -0.840951D+01  0.169358D+02
      6  -0.135952D+02  0.916360D+01 -0.110927D+02  0.100579D+02 -0.102729D+02
               161           162           163           164           165 
      1   0.160253D+01 -0.250839D+01 -0.646739D+01 -0.116295D+02  0.346733D-01
      2  -0.843752D+00 -0.462742D+01  0.823280D+01  0.173540D+02  0.337465D+01
      3  -0.758777D+00  0.713581D+01 -0.176540D+01 -0.572458D+01 -0.340933D+01
      4   0.112769D+02 -0.126037D+02  0.234053D+01  0.321177D+01 -0.991394D+00
      5  -0.110482D+02  0.184577D+02 -0.747097D+00 -0.405893D+01  0.219317D-01
      6   0.114928D+02 -0.144635D+02 -0.638639D+00 -0.166156D+00  0.281040D+01
               166           167           168           169           170 
      1  -0.691071D+01 -0.238709D+02 -0.292903D+01 -0.286388D+01 -0.110275D+02
      2   0.102308D+02  0.397403D+02  0.723449D+01  0.452348D+01  0.171524D+02
      3  -0.332011D+01 -0.158694D+02 -0.430546D+01 -0.165960D+01 -0.612484D+01
      4   0.548266D+01 -0.843744D+01  0.476810D+00  0.747922D+00 -0.396311D+01
      5  -0.414133D+01 -0.464634D+01 -0.417384D+01  0.218441D+00 -0.362042D+01
      6   0.757491D+00 -0.213868D+01  0.666144D+01  0.103422D+01  0.480116D+01
               171           172           173           174           175 
      1  -0.433523D+01  0.174965D+02  0.441638D+01 -0.797130D+01  0.142929D+02
      2   0.547490D+01 -0.120337D+02 -0.515458D+01  0.941435D+01 -0.121558D+02
      3  -0.113967D+01 -0.546277D+01  0.738201D+00 -0.144305D+01 -0.213710D+01
      4  -0.909435D+00  0.270689D+01  0.706925D+01 -0.610234D+01  0.693918D+01
      5  -0.285124D+01 -0.130083D+02 -0.844268D+01  0.136440D+02 -0.162665D+02
      6   0.542609D+01 -0.170561D+01 -0.811935D+00  0.108748D+01 -0.958824D+00
               176           177           178           179           180 
      1   0.376938D+01 -0.866896D+01 -0.100959D+02 -0.615008D+01  0.515119D+01
      2  -0.577172D+01  0.133481D+02  0.125241D+02  0.987846D+01 -0.169381D+02
      3   0.200234D+01 -0.467910D+01 -0.242812D+01 -0.372838D+01  0.117869D+02
      4   0.160592D+02 -0.979276D+01 -0.611118D+01 -0.110081D+02  0.792416D+01
      5  -0.118544D+02  0.195708D+02  0.191092D+02  0.111687D+02 -0.290809D+02
      6  -0.525924D+01  0.395112D+01  0.781270D+00  0.595751D+01 -0.948667D+00
               181           182           183           184           185 
      1  -0.350929D+01 -0.126198D+02 -0.725737D+01 -0.987192D+01 -0.202567D+02
      2   0.308243D+01  0.923446D+01  0.281319D+01  0.422831D+01  0.209813D+02
      3   0.426869D+00  0.338534D+01  0.444418D+01  0.564361D+01 -0.724627D+00
      4  -0.913364D+00 -0.381025D+01 -0.455820D+01  0.723708D+01 -0.239768D+02
      5   0.218857D+01 -0.362265D+01 -0.396797D+01  0.256354D+01 -0.131627D+02
      6   0.201496D+01  0.757431D+01  0.679858D+01 -0.206284D+00  0.202382D+02
               186           187           188           189           190 
      1  -0.148149D+02 -0.403012D+01 -0.151784D+02 -0.132929D+02  0.694557D+02
      2   0.857354D+01  0.269054D+01  0.916004D+01  0.230684D+01 -0.272070D+02
      3   0.624132D+01  0.133958D+01  0.601840D+01  0.109861D+02 -0.422487D+02
      4  -0.133763D+02  0.381396D+00 -0.132967D+02 -0.964555D+01 -0.380048D+02
      5  -0.114432D+02  0.446164D+01 -0.957288D+01 -0.151970D+02  0.200598D+01
      6   0.163639D+02  0.508013D+00  0.155189D+02  0.152647D+02 -0.119284D+01
               191           192           193           194           195 
      1  -0.198545D+02  0.972640D+01 -0.198485D+02  0.983795D+01 -0.504468D+01
      2   0.307833D+01 -0.167233D+01  0.262981D+01  0.144387D+01  0.118772D+01
      3   0.167762D+02 -0.805406D+01  0.172187D+02 -0.112818D+02  0.385695D+01
      4   0.227117D+02 -0.665489D+01  0.243636D+02 -0.188133D+02  0.246332D+01
      5  -0.237696D+01  0.114930D+02 -0.175019D+01 -0.202560D+00 -0.361349D+01
      6   0.121928D+00 -0.320112D+01 -0.531762D-01  0.107156D+01  0.402954D+01
               196           197           198           199           200 
      1   0.275955D+02 -0.946526D+01  0.843235D+01 -0.547920D-01 -0.832915D+00
      2  -0.896992D+01  0.156208D+01 -0.352463D+01  0.129862D+01  0.546166D+00
      3  -0.186256D+02  0.790318D+01 -0.490772D+01 -0.124383D+01  0.286749D+00
      4  -0.183793D+02  0.110100D+02 -0.594271D+01  0.381854D+00  0.112699D+01
      5   0.987651D+01 -0.359450D+01  0.922487D+01 -0.926499D+00  0.454629D+00
      6  -0.301917D+01  0.319131D+01 -0.366609D+01  0.101886D+01 -0.341730D-01
               201           202           203           204           205 
      1  -0.122478D+01 -0.257427D+01 -0.143805D+01 -0.435435D+01 -0.680921D+01
      2   0.951752D+00 -0.142623D+01  0.928540D+00  0.231895D+01  0.350998D+01
      3   0.273024D+00  0.400050D+01  0.509507D+00  0.203540D+01  0.329923D+01
      4   0.841473D+00  0.298980D+00 -0.130673D+01 -0.186828D+01  0.989428D+00
      5   0.139780D+01  0.449898D+00 -0.113298D+01 -0.562879D+00  0.123560D+01
      6   0.151428D+00 -0.109791D+01  0.324709D+01  0.326615D+01  0.996445D+00
               206           207           208           209           210 
      1  -0.575441D+01 -0.123091D+02  0.296127D+01  0.214720D+01  0.539072D+01
      2   0.413553D+01  0.181082D+01 -0.364578D+01 -0.119324D+01 -0.201635D+01
      3   0.161888D+01  0.104983D+02  0.684510D+00 -0.953965D+00 -0.337437D+01
      4  -0.124101D+01 -0.235894D+01  0.259942D+01  0.127016D+01  0.147786D+01
      5  -0.155857D+01 -0.427128D+01  0.514304D+01  0.165229D+01  0.450740D+01
      6   0.498839D+01  0.691801D+01  0.169113D+01 -0.175022D+00  0.499265D+00
               211           212           213           214           215 
      1   0.264663D+01 -0.379283D+01 -0.371420D+01  0.286578D+01 -0.417014D+01
      2  -0.416185D+01  0.505942D+00 -0.170308D+01 -0.422991D+01 -0.286637D+00
      3   0.151522D+01  0.328688D+01  0.541728D+01  0.136413D+01  0.445678D+01
      4  -0.215819D+01  0.154881D+01  0.226340D+01  0.326845D+01  0.377962D+01
      5   0.468786D+01  0.307278D+01  0.630513D+01  0.832562D+01  0.507939D+01
      6  -0.143365D+01  0.273523D+01  0.415501D+01  0.221935D+01  0.642144D+01
               216           217           218           219           220 
      1  -0.190622D+02  0.299237D+01  0.788858D+01 -0.122623D-01  0.213118D+02
      2  -0.826076D+01 -0.375190D+00 -0.542896D+01 -0.197353D+00 -0.634508D+01
      3   0.273229D+02 -0.261718D+01 -0.245962D+01  0.209616D+00 -0.149667D+02
      4   0.385893D+01  0.294936D+01 -0.130022D+00 -0.146398D+01  0.215291D+02
      5   0.213293D+02 -0.224396D+01 -0.789700D+00  0.617289D-01  0.919311D+01
      6   0.569408D+01  0.188424D+01 -0.126338D+01 -0.152930D+01  0.488097D+01
               221           222           223           224           225 
      1  -0.840733D+01 -0.335019D+01  0.715454D+01 -0.358314D+01  0.160933D+01
      2   0.206383D+02  0.442654D+01 -0.399806D+01  0.308813D+01 -0.201155D+01
      3  -0.122309D+02 -0.107635D+01 -0.315648D+01  0.495006D+00  0.402214D+00
      4   0.578213D+02  0.215090D+02  0.438106D+01  0.170760D+02  0.113518D+02
      5   0.200156D+02  0.157325D+02  0.137432D+02  0.115396D+02  0.183384D+02
      6   0.169791D+02  0.116407D+02  0.210475D+01  0.976402D+01  0.648718D+01
               226           227           228           229           230 
      1   0.159780D+02 -0.622451D+01  0.640652D+01 -0.197195D+02  0.207810D+01
      2  -0.110295D+02  0.390905D+01 -0.521817D+01  0.128702D+02 -0.180795D+01
      3  -0.494856D+01  0.231547D+01 -0.118835D+01  0.684927D+01 -0.270155D+00
      4  -0.675636D+01  0.420496D+01 -0.517719D+01  0.132759D+02 -0.142817D+02
      5   0.829531D+01 -0.588226D+01  0.113241D+02 -0.165354D+02  0.184077D+02
      6  -0.268972D+01  0.576840D+00 -0.701524D+00  0.460065D+01 -0.594811D+01
               231           232           233           234           235 
      1  -0.538407D+01  0.234313D+02 -0.414624D-01  0.974705D+01  0.948793D+02
      2   0.971865D+01 -0.178622D+02  0.502054D+01 -0.215160D+02 -0.450830D+02
      3  -0.433458D+01 -0.556908D+01 -0.497907D+01  0.117690D+02 -0.497963D+02
      4   0.196034D+02 -0.486212D+01  0.194879D+02 -0.158529D+02  0.673195D+01
      5  -0.258336D+02  0.331647D+02 -0.145834D+02  0.545857D+02 -0.177954D+02
      6   0.869258D+01 -0.280932D+01  0.722063D+01 -0.647401D+01 -0.278995D+01
               236           237           238           239           240 
      1   0.218177D+01 -0.221228D+02 -0.478004D+01  0.841596D+01 -0.576962D+00
      2   0.114113D+00  0.928321D+01  0.339695D+01 -0.254732D+01  0.886484D+00
      3  -0.229589D+01  0.128396D+02  0.138309D+01 -0.586863D+01 -0.309522D+00
      4   0.135160D+02 -0.254609D+01  0.132805D+02  0.293027D+01 -0.181523D+01
      5  -0.165779D+01  0.173959D+02 -0.650004D+00 -0.138354D+01 -0.227625D+01
      6   0.243447D+00  0.180073D+01 -0.239514D+00  0.568432D+00  0.234420D+01
               241           242           243 
      1  -0.497921D+02 -0.278073D+01  0.186826D+02
      2   0.235652D+02  0.117333D+01 -0.104856D+02
      3   0.262269D+02  0.160740D+01 -0.819701D+01
      4  -0.522745D+01 -0.759864D+01  0.444866D+00
      5   0.217154D+02 -0.816768D-01 -0.167079D+02
      6   0.242486D+01  0.177701D+01 -0.243176D+01
 Leave Link  716 at Mon Aug 16 22:32:54 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.173045D+03  0.541562D+01  0.305830D+01
      2   0.541562D+01  0.110584D+03  0.309643D+01
      3   0.305830D+01  0.309643D+01  0.114702D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.720720D+01 -0.861913D+01  0.565542D+01
      2   0.309258D+02 -0.944159D+01  0.452483D+01
      3   0.243022D+02 -0.411637D+02  0.147083D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.788169D+02 -0.268863D+02 -0.322967D+01
      2   0.680417D+02  0.405247D+01  0.100504D+02
      3   0.107752D+02  0.228338D+02 -0.682072D+01
      4  -0.403117D+02  0.961960D+02 -0.270281D+02
      5  -0.342386D+02 -0.293959D+02  0.621029D+01
      6  -0.123203D+02 -0.188940D+02 -0.129510D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.277963D+01  0.215113D+01 -0.377834D+01  0.162730D+01  0.346327D+00
      2   0.215113D+01  0.358629D+00  0.370244D+01  0.346327D+00  0.298184D+01
      3  -0.377834D+01  0.370244D+01  0.251554D+00  0.371168D+01  0.156850D+01
                 6             7             8             9            10 
      1   0.371168D+01 -0.427584D+01  0.378054D+01  0.318256D+00  0.202894D+02
      2   0.156850D+01  0.378054D+01  0.193210D+01  0.106641D+00 -0.347476D+01
      3  -0.579692D+00  0.318256D+00  0.106641D+00 -0.194067D+01  0.368057D+01
                11            12            13            14            15 
      1  -0.347476D+01  0.368057D+01 -0.783031D+01  0.223053D+01 -0.387714D+01
      2   0.529398D+00 -0.321424D+01  0.223053D+01 -0.414264D+01 -0.263509D+01
      3  -0.321424D+01 -0.636783D+00 -0.387714D+01 -0.263509D+01 -0.310910D+00
                16            17            18            19            20 
      1   0.154237D+02 -0.433215D+01  0.273584D+00 -0.422235D+02 -0.676294D+00
      2  -0.433215D+01 -0.237753D+01 -0.165925D+00 -0.676294D+00 -0.402231D+01
      3   0.273584D+00 -0.165925D+00  0.814037D+00 -0.169867D+01  0.101429D+01
                21            22            23            24            25 
      1  -0.169867D+01  0.464720D+01 -0.879943D+01  0.204951D+01 -0.528202D+01
      2   0.101429D+01 -0.879943D+01 -0.112712D+01 -0.809012D+00  0.190274D+01
      3   0.226186D-01  0.204951D+01 -0.809012D+00  0.219198D+01  0.349016D+00
                26            27            28            29            30 
      1   0.190274D+01  0.349016D+00  0.633693D+02  0.378448D+01  0.501396D+00
      2  -0.114470D+01  0.219014D+01  0.378448D+01  0.319741D+01 -0.635611D+00
      3   0.219014D+01  0.456610D+01  0.501396D+00 -0.635611D+00  0.151463D+01
                31            32            33            34            35 
      1   0.107330D+02  0.680061D+01 -0.185760D+01  0.800859D+01 -0.727986D+00
      2   0.680061D+01  0.285221D+01 -0.153081D+00 -0.727986D+00  0.914346D+00
      3  -0.185760D+01 -0.153081D+00 -0.122083D+01  0.169531D+01 -0.160898D+01
                36            37            38            39            40 
      1   0.169531D+01 -0.571280D+02 -0.337581D+01  0.286077D+01 -0.119437D+02
      2  -0.160898D+01 -0.337581D+01 -0.187062D+01  0.854651D+00 -0.476748D+01
      3  -0.323445D+01  0.286077D+01  0.854651D+00 -0.113520D+01  0.139692D+01
                41            42            43            44            45 
      1  -0.476748D+01  0.139692D+01 -0.109085D+02 -0.477881D+00 -0.370974D+01
      2  -0.222730D+01 -0.738087D+00 -0.477881D+00 -0.160755D+01  0.167182D+01
      3  -0.738087D+00  0.185442D+01 -0.370974D+01  0.167182D+01  0.269458D+01
                46            47            48            49            50 
      1   0.183251D+02  0.108540D+01 -0.314209D+01 -0.453285D+01 -0.753890D+00
      2   0.108540D+01 -0.964562D+00  0.816799D-01 -0.753890D+00 -0.576930D+00
      3  -0.314209D+01  0.816799D-01 -0.687069D+00  0.264625D+01 -0.814715D+00
                51            52            53            54            55 
      1   0.264625D+01 -0.248748D+02  0.640027D+00  0.820862D+01 -0.469801D+01
      2  -0.814715D+00  0.640027D+00  0.345925D+00 -0.933579D+00  0.553418D+00
      3  -0.156786D+01  0.820862D+01 -0.933579D+00 -0.595353D+01  0.247716D+01
                56            57            58            59            60 
      1   0.553418D+00  0.247716D+01  0.753572D+01 -0.172768D+01 -0.263074D+01
      2  -0.277791D+00 -0.492548D+00 -0.172768D+01  0.181080D+01  0.293564D+01
      3  -0.492548D+00 -0.105620D+01 -0.263074D+01  0.293564D+01  0.153855D+01
                61            62            63            64            65 
      1   0.246525D+02 -0.199433D+00 -0.949132D+01 -0.751511D+01  0.221486D+01
      2  -0.199433D+00  0.138444D+01  0.123510D+01  0.221486D+01 -0.147140D+00
      3  -0.949132D+01  0.123510D+01  0.109947D+02 -0.248802D+01  0.384002D+01
                66            67            68            69            70 
      1  -0.248802D+01  0.269561D+01 -0.108167D+01  0.373919D+01 -0.655915D+01
      2   0.384002D+01 -0.108167D+01  0.183776D+01  0.352187D+01  0.391075D+01
      3   0.797516D+00  0.373919D+01  0.352187D+01 -0.765725D+00 -0.234471D+00
                71            72            73            74            75 
      1   0.391075D+01 -0.234471D+00 -0.647634D+01 -0.156260D+01 -0.153622D+01
      2   0.330365D+01 -0.168790D+00 -0.156260D+01  0.177261D+01 -0.417564D+00
      3  -0.168790D+00  0.153243D+01 -0.153622D+01 -0.417564D+00  0.243018D+01
                76            77            78            79            80 
      1  -0.178937D+01  0.248083D+01 -0.672054D+00  0.299775D+00 -0.179202D+00
      2   0.248083D+01  0.470963D+01  0.299093D+01 -0.179202D+00  0.262977D+01
      3  -0.672054D+00  0.299093D+01 -0.897564D+00  0.215492D+01 -0.162727D+01
                81            82            83            84            85 
      1   0.215492D+01  0.663125D+01  0.243665D+01  0.793844D+00  0.502613D+01
      2  -0.162727D+01  0.243665D+01  0.387522D+01  0.296384D+01  0.551687D+01
      3  -0.342624D+01  0.793844D+00  0.296384D+01 -0.269216D+01  0.218478D+01
                86            87            88            89            90 
      1   0.551687D+01  0.218478D+01  0.790735D+01  0.523550D+01 -0.324098D+01
      2  -0.194965D+01 -0.381333D-01  0.523550D+01 -0.383226D-01 -0.404417D+00
      3  -0.381333D-01 -0.173267D-01 -0.324098D+01 -0.404417D+00  0.770859D+00
                91            92            93            94            95 
      1   0.140067D+01 -0.130437D+01 -0.435671D+01 -0.239923D+01  0.441332D+00
      2  -0.130437D+01 -0.859786D+00 -0.101908D+01  0.441332D+00  0.385028D+01
      3  -0.435671D+01 -0.101908D+01  0.129188D+01 -0.907210D+00  0.350378D+01
                96            97            98            99           100 
      1  -0.907210D+00 -0.724076D+01 -0.957102D+00  0.353349D+01  0.112067D+02
      2   0.350378D+01 -0.957102D+00  0.295075D+01 -0.940178D+00  0.226080D+01
      3  -0.140343D+01  0.353349D+01 -0.940178D+00  0.387849D+01  0.235092D+01
               101           102           103           104           105 
      1   0.226080D+01  0.235092D+01  0.102587D+01  0.140983D+01  0.255954D+00
      2   0.195746D+01  0.575101D+00  0.140983D+01  0.585909D+00  0.151990D+00
      3   0.575101D+00  0.155058D+01  0.255954D+00  0.151990D+00  0.263899D+00
               106           107           108           109           110 
      1   0.418047D+00  0.176832D+00  0.109469D+01 -0.201341D+00  0.407879D+00
      2   0.176832D+00 -0.191726D+00  0.497214D+00  0.407879D+00 -0.909356D+00
      3   0.109469D+01  0.497214D+00  0.106065D+01  0.911294D+00 -0.268494D+00
               111           112           113           114           115 
      1   0.911294D+00  0.204660D+00 -0.130813D+00  0.836199D-01  0.118716D+01
      2  -0.268494D+00 -0.130813D+00  0.438813D+00  0.763948D+00  0.109439D+00
      3  -0.193987D+01  0.836199D-01  0.763948D+00  0.920191D+00  0.846329D-01
               116           117           118           119           120 
      1   0.109439D+00  0.846329D-01 -0.435375D+00 -0.381308D+00 -0.764837D+00
      2   0.178182D+01  0.163209D+01 -0.381308D+00  0.249304D+00 -0.110186D+00
      3   0.163209D+01  0.781136D+01 -0.764837D+00 -0.110186D+00 -0.360776D+00
               121           122           123           124           125 
      1  -0.185760D+01  0.388723D+00 -0.225152D-01 -0.151873D+01  0.884494D-02
      2   0.388723D+00 -0.512886D+00 -0.103728D+01  0.884494D-02 -0.127593D+01
      3  -0.225152D-01 -0.103728D+01 -0.131851D+01  0.117865D+00 -0.756493D+00
               126           127           128           129           130 
      1   0.117865D+00 -0.196285D+01  0.147299D+01  0.400879D-01  0.329913D+00
      2  -0.756493D+00  0.147299D+01 -0.402713D+01 -0.554845D+00 -0.160834D+01
      3  -0.721269D+01  0.400879D-01 -0.554845D+00 -0.361543D+00 -0.371994D+00
               131           132           133           134           135 
      1  -0.160834D+01 -0.371994D+00  0.284324D+00 -0.690411D+00  0.189425D+00
      2   0.807546D+01  0.634001D+00 -0.690411D+00  0.214559D+01  0.131455D+01
      3   0.634001D+00  0.103346D+01  0.189425D+00  0.131455D+01  0.561812D+00
               136           137           138           139           140 
      1   0.279169D+01  0.153009D+01 -0.176103D+01 -0.620584D-01  0.109754D+01
      2   0.153009D+01  0.170893D+01 -0.143619D+01  0.109754D+01  0.262863D+01
      3  -0.176103D+01 -0.143619D+01  0.226557D+01 -0.104679D+01 -0.155272D+01
               141           142           143           144           145 
      1  -0.104679D+01 -0.454015D+01 -0.246806D+01  0.264750D+01 -0.309529D+01
      2  -0.155272D+01 -0.246806D+01 -0.300850D+01  0.245142D+01  0.430078D+00
      3   0.139430D+01  0.264750D+01  0.245142D+01 -0.428947D+01  0.177569D+01
               146           147           148           149           150 
      1   0.430078D+00  0.177569D+01  0.145215D+01 -0.839611D+00 -0.554260D+00
      2  -0.114512D+01 -0.142127D+00 -0.839611D+00  0.607403D+00  0.224103D+00
      3  -0.142127D+00 -0.245033D+01 -0.554260D+00  0.224103D+00  0.128451D+01
               151           152           153           154           155 
      1   0.183140D+01 -0.503099D+00 -0.184757D+01  0.546796D+01 -0.272226D+01
      2  -0.503099D+00  0.862677D+00 -0.393607D-01 -0.272226D+01  0.294634D+01
      3  -0.184757D+01 -0.393607D-01  0.429161D+01  0.288701D+01 -0.213352D+01
               156           157           158           159           160 
      1   0.288701D+01 -0.160528D+01  0.177916D+01 -0.133272D+01  0.203146D+01
      2  -0.213352D+01  0.177916D+01 -0.281784D+01  0.142417D+01 -0.163009D+01
      3   0.284667D+01 -0.133272D+01  0.142417D+01 -0.129193D+01  0.201412D+01
               161           162           163           164           165 
      1  -0.163009D+01  0.201412D+01 -0.133103D+01 -0.151316D+01 -0.285139D-01
      2   0.149237D+01 -0.180953D+01 -0.151316D+01 -0.248610D+01 -0.569767D+00
      3  -0.180953D+01  0.312608D+01 -0.285139D-01 -0.569767D+00 -0.701577D+00
               166           167           168           169           170 
      1  -0.137140D+01 -0.135443D+01 -0.535966D+00 -0.606828D+00 -0.812256D+00
      2  -0.135443D+01 -0.630078D+01 -0.744268D+00 -0.812256D+00 -0.291177D+01
      3  -0.535966D+00 -0.744268D+00 -0.126814D+01 -0.423446D+00 -0.992692D+00
               171           172           173           174           175 
      1  -0.423446D+00  0.273155D+01  0.724468D+00 -0.123492D+01  0.218373D+01
      2  -0.992692D+00  0.724468D+00  0.778299D+00 -0.980189D+00  0.900852D+00
      3  -0.106719D+01 -0.123492D+01 -0.980189D+00  0.134187D+01 -0.187192D+01
               176           177           178           179           180 
      1   0.900852D+00 -0.187192D+01 -0.165458D+01 -0.105559D+01  0.208355D+01
      2   0.252680D+01 -0.174214D+01 -0.105559D+01 -0.191952D+01  0.143187D+01
      3  -0.174214D+01  0.264643D+01  0.208355D+01  0.143187D+01 -0.403404D+01
               181           182           183           184           185 
      1  -0.376400D+00 -0.718954D+00 -0.185302D+00 -0.148631D+01  0.283972D+00
      2  -0.718954D+00 -0.186086D+01 -0.134555D+01  0.283972D+00 -0.513430D+01
      3  -0.185302D+00 -0.134555D+01 -0.149060D+01 -0.113015D+00 -0.288479D+01
               186           187           188           189           190 
      1  -0.113015D+00 -0.401513D+00 -0.274333D+00  0.151209D+00  0.858725D+01
      2  -0.288479D+01 -0.274333D+00 -0.279905D+01 -0.223174D+01 -0.313966D+01
      3  -0.245503D+01  0.151209D+00 -0.223174D+01 -0.316510D+01  0.111076D+01
               191           192           193           194           195 
      1  -0.313966D+01  0.111076D+01 -0.280441D+01  0.234331D+01 -0.618453D+00
      2   0.207605D+01 -0.681620D+00  0.234331D+01 -0.210961D+01  0.386333D-01
      3  -0.681620D+00  0.133140D+01 -0.618453D+00  0.386333D-01 -0.572397D+00
               196           197           198           199           200 
      1   0.499812D+01 -0.178534D+01  0.129564D+01  0.128083D+01  0.512754D+00
      2  -0.178534D+01  0.108575D+01 -0.593559D+00  0.512754D+00 -0.437447D-02
      3   0.129564D+01 -0.593559D+00  0.118155D+01  0.789061D+00 -0.506430D-02
               201           202           203           204           205 
      1   0.789061D+00  0.153312D+01 -0.910134D+00  0.275631D+00  0.238704D+01
      2  -0.506430D-02 -0.910134D+00  0.726116D+00  0.107025D+01  0.567168D+00
      3  -0.769207D-01  0.275631D+00  0.107025D+01  0.115969D+01  0.508830D+00
               206           207           208           209           210 
      1   0.567168D+00  0.508830D+00 -0.154243D+01 -0.614663D+00 -0.116689D+01
      2   0.147412D+01  0.112005D+01 -0.614663D+00 -0.588114D-01 -0.772686D-01
      3   0.112005D+01  0.454691D+01 -0.116689D+01 -0.772686D-01  0.193073D+00
               211           212           213           214           215 
      1  -0.101111D+01  0.222796D+00 -0.706423D+00 -0.210555D+01 -0.548727D+00
      2   0.222796D+00 -0.604175D+00 -0.898817D+00 -0.548727D+00 -0.130468D+01
      3  -0.706423D+00 -0.898817D+00 -0.171995D+01 -0.100353D+01 -0.154467D+01
               216           217           218           219           220 
      1  -0.100353D+01 -0.866936D+00 -0.534084D+00  0.368733D+00 -0.338505D+01
      2  -0.154467D+01 -0.534084D+00  0.594162D+00  0.386121D+00 -0.195364D+01
      3  -0.651468D+01  0.368733D+00  0.386121D+00  0.261519D+00 -0.816283D+00
               221           222           223           224           225 
      1  -0.195364D+01 -0.816283D+00 -0.119469D+01 -0.468160D+00 -0.143499D+01
      2  -0.734794D+01 -0.267066D+01 -0.468160D+00 -0.214276D+01 -0.152938D+01
      3  -0.267066D+01 -0.205940D+01 -0.143499D+01 -0.152938D+01 -0.232841D+01
               226           227           228           229           230 
      1  -0.247246D+01  0.743799D+00 -0.546093D+00  0.256181D+01 -0.119044D+01
      2   0.743799D+00 -0.283862D+00  0.497898D+00 -0.119044D+01  0.156949D+01
      3  -0.546093D+00  0.497898D+00 -0.793461D+00  0.147841D+01 -0.219119D+01
               231           232           233           234           235 
      1   0.147841D+01 -0.352797D+01  0.343750D+00 -0.324770D+01 -0.897719D+01
      2  -0.219119D+01  0.343750D+00 -0.227738D+01  0.167093D+01 -0.290865D+00
      3   0.293060D+01 -0.324770D+01  0.167093D+01 -0.630740D+01  0.214034D+01
               236           237           238           239           240 
      1  -0.290865D+00  0.214034D+01  0.522390D+00 -0.112512D+01  0.113147D+00
      2  -0.112600D+01  0.167829D+00 -0.112512D+01 -0.349988D+00  0.821654D-01
      3   0.167829D+00 -0.171656D+01  0.113147D+00  0.821654D-01  0.230666D+00
               241           242           243 
      1   0.526163D+01  0.434231D+00 -0.208691D+01
      2   0.434231D+00  0.696123D+00  0.247227D-01
      3  -0.208691D+01  0.247227D-01  0.164269D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.524319D+01  0.877032D+01  0.632466D+01  0.821305D+01  0.884880D+01
      2  -0.698407D+01  0.174316D+01  0.757624D+01  0.588544D+01  0.144302D+01
      3  -0.313724D+01 -0.870042D+01  0.176875D+01 -0.696810D+00 -0.565983D+01
                 6             7             8             9            10 
      1  -0.101094D+01  0.633023D+01  0.557682D+01 -0.472826D+01  0.575210D+01
      2  -0.586428D+01  0.332160D+01 -0.581199D+01 -0.388765D+01  0.181241D+02
      3  -0.981190D+01  0.599579D+00 -0.114828D+02 -0.113781D+01  0.992134D+01
                11            12            13            14            15 
      1  -0.508271D+01 -0.366723D+00 -0.825572D+01 -0.497083D+01 -0.513792D+01
      2  -0.840413D+01  0.244717D+01 -0.122572D+02 -0.378878D+01 -0.113378D+01
      3  -0.280570D+01  0.698740D+01  0.627525D+01  0.101986D+02  0.999828D+01
                16            17            18            19            20 
      1   0.427380D+01  0.352885D+01 -0.579459D+00 -0.447566D+00  0.323511D+01
      2   0.363886D+01 -0.254668D+00  0.261799D+01 -0.297015D+02 -0.106802D+01
      3   0.990970D+01  0.103209D+02  0.642074D+00 -0.183655D+02 -0.441942D+01
                21            22            23            24            25 
      1  -0.119617D+01  0.132388D+02  0.383317D+01 -0.166465D+01 -0.492864D+01
      2   0.181490D+01  0.169581D+01 -0.649215D+01  0.354549D+01 -0.142967D+02
      3  -0.215743D+01  0.353824D+01 -0.716822D+01  0.268936D+01 -0.351484D+01
                26            27            28            29            30 
      1   0.463171D+01 -0.360508D+01 -0.497044D+01  0.274090D+00  0.834919D-01
      2   0.218300D+01  0.188930D+01  0.395025D+02  0.458413D+01 -0.393782D+01
      3   0.531919D+00 -0.943834D+00  0.188038D+02  0.881990D+01 -0.124267D+01
                31            32            33            34            35 
      1  -0.320153D+01 -0.261349D+01 -0.270576D+01  0.193787D+01 -0.356588D+00
      2   0.119903D+02  0.334275D+01 -0.105587D+01 -0.137174D+02 -0.117663D+01
      3   0.350158D+02  0.724606D+01  0.395125D+00 -0.172422D+01 -0.624048D+00
                36            37            38            39            40 
      1   0.324217D+01  0.352262D+01  0.101511D+01 -0.723088D+00  0.770661D+01
      2   0.145063D+01 -0.453075D+02 -0.379568D+01  0.128434D+02 -0.128882D+02
      3  -0.305353D+00 -0.155122D+02 -0.115367D+02  0.158331D+01 -0.938609D+01
                41            42            43            44            45 
      1   0.757014D+00 -0.486989D+01  0.187431D+01 -0.477938D-01  0.819641D+00
      2  -0.253688D+01 -0.120723D+01 -0.136615D+02 -0.347999D+01 -0.613252D+01
      3  -0.581107D+01 -0.110019D+01  0.214516D+00  0.555460D+00  0.932592D+00
                46            47            48            49            50 
      1  -0.113503D+00 -0.224703D+01  0.245448D+01  0.560313D+01 -0.370193D+01
      2   0.118063D+02  0.287297D+01 -0.447799D+01 -0.460783D+01  0.217996D+01
      3   0.662207D+00  0.123277D+02 -0.434270D+01  0.235092D+02  0.173986D+01
                51            52            53            54            55 
      1  -0.725659D+01  0.228696D+01 -0.379297D+01  0.223872D+01 -0.125840D+01
      2   0.610419D+01 -0.473760D+02  0.337300D+00  0.279427D+02 -0.195894D+01
      3  -0.171216D+01 -0.598012D+01 -0.891294D+01 -0.138738D+01  0.284190D+00
                56            57            58            59            60 
      1   0.682382D+00 -0.578327D+00  0.448128D-01  0.261105D+01 -0.160862D+01
      2   0.153816D+01  0.755520D+01  0.814755D+01 -0.856074D+01 -0.780786D+01
      3  -0.698239D+01 -0.489313D+00 -0.585004D+01  0.583600D+01  0.780399D+01
                61            62            63            64            65 
      1  -0.136150D+01  0.875736D+01 -0.356630D+00 -0.505056D+01  0.543371D+01
      2   0.280908D+02 -0.380042D+01 -0.438257D+02 -0.147270D+02  0.153469D+02
      3   0.489926D+01  0.124686D+02  0.269402D+01 -0.155813D+01 -0.403486D+01
                66            67            68            69            70 
      1  -0.476778D+01  0.759379D+01  0.272202D+01 -0.753700D+01 -0.753089D+01
      2   0.157890D+01  0.146909D+02  0.115920D+02  0.228214D+01 -0.100570D+02
      3  -0.106500D+02  0.558703D+01 -0.601228D+01 -0.176788D+02 -0.115391D+02
                71            72            73            74            75 
      1  -0.178213D+01  0.357437D+01 -0.155308D+01  0.520884D+01 -0.468200D+01
      2   0.483951D+01  0.680280D+01  0.746077D+01  0.203998D+01  0.120783D+02
      3  -0.165106D+02  0.106083D+01 -0.181206D+01 -0.120486D+02  0.526686D+00
                76            77            78            79            80 
      1   0.193605D+01  0.104525D+01  0.425904D+01 -0.387318D+01  0.878301D+01
      2   0.568068D+00  0.571094D+01 -0.302620D+01  0.439530D+01 -0.524038D+01
      3  -0.554023D+01 -0.106088D+02 -0.111355D+02  0.194269D+01 -0.100312D+02
                81            82            83            84            85 
      1   0.175210D+01 -0.355358D+01 -0.121402D+02  0.695219D+01 -0.141702D+02
      2  -0.138328D+02  0.729134D+01  0.652447D+01 -0.253312D+01  0.774059D+01
      3   0.867969D+01  0.202315D+01 -0.693769D+01 -0.505324D+01  0.589447D+01
                86            87            88            89            90 
      1   0.101502D+01 -0.323861D+01  0.467629D+01  0.280099D+01 -0.867322D+00
      2   0.424247D+01  0.177517D+01 -0.268451D+01  0.251597D+01 -0.117903D+01
      3   0.143500D+02  0.663329D+01 -0.296002D-01  0.122770D+02 -0.800737D+01
                91            92            93            94            95 
      1  -0.337330D+00  0.219964D+01  0.121018D+01 -0.612752D+01 -0.262369D+01
      2   0.178117D+02  0.261836D+01 -0.511304D+01  0.289449D+01 -0.151868D+02
      3  -0.656651D+01 -0.100955D+02 -0.242232D+01  0.131047D+02  0.183936D+02
                96            97            98            99           100 
      1  -0.826371D+01  0.466532D+01 -0.102410D+01  0.363515D+01 -0.829545D+00
      2   0.693747D+01 -0.243749D+02  0.300852D+01 -0.137622D+02 -0.475208D+01
      3   0.201122D+02 -0.391520D+01  0.116182D+02 -0.672109D+01  0.659133D+01
               101           102           103           104           105 
      1   0.210206D+01 -0.182448D+01  0.297049D+00  0.129913D+00 -0.136619D+01
      2  -0.179007D+00  0.553546D+01 -0.641022D+00 -0.794721D+00  0.728303D+00
      3  -0.699238D+01  0.832658D+00 -0.387537D+00 -0.133129D+00  0.588825D+00
               106           107           108           109           110 
      1  -0.893459D+00  0.109008D+00 -0.673076D+00 -0.682364D+00 -0.193965D+01
      2   0.112233D+01  0.983784D+00  0.231827D+01  0.406708D+01 -0.108588D+01
      3   0.193997D+00  0.680755D+00 -0.171302D+00 -0.173274D+01  0.210633D+01
               111           112           113           114           115 
      1   0.226445D+01 -0.877952D+00 -0.784485D+00 -0.152429D+01  0.355838D+00
      2  -0.605463D+01 -0.437802D+00  0.276185D+01  0.242130D+01 -0.526936D+01
      3   0.171076D+01  0.220700D+01 -0.893031D+00 -0.173777D+01  0.181428D+01
               116           117           118           119           120 
      1   0.285072D+01 -0.735888D+01  0.111517D+01  0.425020D+00  0.155901D+00
      2   0.409588D+01  0.221354D+02 -0.238659D+01 -0.566214D+00  0.433689D+00
      3  -0.391040D+01 -0.448116D+01  0.290949D+00 -0.117406D+01 -0.439431D+00
               121           122           123           124           125 
      1   0.697901D+00  0.161577D+01  0.279284D+00 -0.171295D+00  0.494280D+01
      2  -0.163848D+01 -0.410900D+00 -0.138839D+01 -0.467160D+01 -0.433075D+00
      3   0.266474D+01  0.318182D+00  0.631729D+00 -0.620501D+00  0.287254D+00
               126           127           128           129           130 
      1   0.353275D+01 -0.714015D+00  0.305415D+01  0.227718D+01  0.146841D+01
      2  -0.652795D+01 -0.566050D+00 -0.617336D+00  0.268375D+00 -0.133601D+01
      3   0.633894D+00 -0.845948D+01  0.874884D+01  0.113353D+01  0.865764D+01
               131           132           133           134           135 
      1  -0.464161D+01 -0.531654D+01 -0.357329D-01 -0.249144D+01 -0.244740D+01
      2   0.314524D+00  0.583985D+00 -0.950121D+00  0.179089D+01  0.972098D+00
      3  -0.173254D+02 -0.179807D+01  0.284051D+01 -0.546224D+01 -0.192688D+01
               136           137           138           139           140 
      1   0.339841D+01  0.180892D+01 -0.545100D+01  0.221803D+01  0.191363D+01
      2  -0.723493D+00 -0.174815D+01  0.464134D+01 -0.190758D+01 -0.214976D+01
      3   0.360571D+01 -0.238297D+01 -0.957018D+00  0.237949D+00 -0.325826D+01
               141           142           143           144           145 
      1  -0.321269D+01 -0.458325D+01 -0.988962D+00  0.936363D+01  0.568813D+01
      2   0.251010D+01 -0.164020D+00  0.289588D+01 -0.620158D+01  0.104032D+02
      3   0.466383D+00 -0.423187D+01  0.168367D+01  0.882776D+00  0.587805D+01
               146           147           148           149           150 
      1  -0.410223D+01 -0.477762D+01 -0.375279D+01  0.288902D+01  0.134364D+01
      2  -0.148001D+01 -0.507632D+01 -0.458938D+01  0.186678D+01  0.260717D+01
      3  -0.420852D+00 -0.333310D+01  0.248540D+00  0.626394D+00  0.927888D+00
               151           152           153           154           155 
      1  -0.495708D+01  0.367249D+01  0.726431D+01  0.168991D+01  0.607390D+00
      2  -0.841984D+01  0.107458D+01  0.844049D+01 -0.249834D+01 -0.108630D+01
      3  -0.353910D+01  0.110076D+01  0.392637D+01 -0.465218D+01 -0.298540D+01
               156           157           158           159           160 
      1   0.336802D+01 -0.177390D+00 -0.120368D+01 -0.222927D+01  0.119001D+01
      2   0.375622D+01  0.183439D+01  0.434018D+00 -0.731701D+00 -0.190997D+01
      3  -0.424975D+00  0.234549D+01  0.272727D+01  0.234230D+00 -0.271523D+01
               161           162           163           164           165 
      1   0.347960D+00  0.381575D+01 -0.222239D+01 -0.449625D+01 -0.342156D+01
      2  -0.670054D+00  0.367631D+01  0.185912D+01  0.138087D+01  0.105128D+00
      3  -0.889095D-01 -0.302513D+00  0.755408D+01  0.602190D+01  0.135506D+01
               166           167           168           169           170 
      1  -0.314738D+01 -0.923797D+01 -0.592617D+01 -0.220353D+01 -0.370496D+01
      2   0.106427D+01  0.179774D+01 -0.779713D-01 -0.110425D+01  0.380184D-01
      3   0.756234D+01  0.132859D+02  0.234595D+01  0.402451D+01  0.666606D+01
               171           172           173           174           175 
      1  -0.459274D+01 -0.236023D+01 -0.250974D+01  0.251893D+01 -0.237694D+01
      2  -0.292864D+00 -0.124740D+01 -0.234369D+01  0.428856D+01 -0.249753D+01
      3   0.282231D+01 -0.379770D+01 -0.430890D+01  0.451381D+01 -0.293294D+01
               176           177           178           179           180 
      1  -0.729073D+01  0.363741D+01  0.335813D+01  0.636817D+01 -0.535059D+01
      2  -0.516009D+01  0.749231D+01  0.278789D+01  0.378945D+01 -0.113248D+02
      3  -0.109264D+02  0.715305D+01  0.447963D+01  0.831979D+01 -0.651840D+01
               181           182           183           184           185 
      1   0.657143D+00  0.791448D+00 -0.117409D+01 -0.550788D-02  0.266451D+01
      2  -0.256440D+01 -0.513345D+01 -0.391063D+01 -0.327178D+01 -0.983362D+01
      3   0.453284D+01  0.591633D+01  0.451822D+01  0.331104D+01  0.164888D+02
               186           187           188           189           190 
      1  -0.236578D+01  0.557290D+00  0.216789D+01 -0.250112D+01  0.466510D+01
      2  -0.841129D+01 -0.198380D+01 -0.795645D+01 -0.997569D+01  0.112964D+02
      3   0.988322D+01  0.264242D+01  0.101130D+02  0.773484D+01  0.215248D+00
               191           192           193           194           195 
      1  -0.274563D+01  0.336153D+01 -0.281369D+01  0.173505D+01 -0.196891D+01
      2  -0.543341D+01  0.856293D+01 -0.484529D+01  0.210093D+01 -0.369238D+01
      3  -0.632485D+01  0.106803D+01 -0.260144D+01  0.529138D+01  0.662532D+00
               196           197           198           199           200 
      1   0.278961D+01 -0.395779D+00  0.241288D+01  0.226611D+00 -0.467614D+00
      2   0.642828D+01 -0.312722D+01  0.625484D+01  0.943195D+00  0.303072D+00
      3   0.170974D+01 -0.273762D+01  0.571029D+00  0.892202D+00  0.958957D-01
               201           202           203           204           205 
      1   0.103653D+00 -0.470107D+01  0.375878D-01 -0.124015D+01  0.608432D+00
      2  -0.528484D+00 -0.169655D+01 -0.201713D+01 -0.101402D+00 -0.448910D+01
      3   0.394709D+00  0.114845D+01  0.510835D+00  0.941886D+00  0.232352D+01
               206           207           208           209           210 
      1   0.309032D+01 -0.351473D+01  0.162396D+01  0.357800D-01  0.656223D-01
      2   0.684381D+00 -0.284658D+01  0.109320D+01 -0.349387D+00 -0.651773D+00
      3   0.169316D+01 -0.470897D-01 -0.288924D+01 -0.795989D+00 -0.119383D+00
               211           212           213           214           215 
      1  -0.623497D+01  0.573212D+00 -0.122587D+00  0.208266D+01  0.463188D+01
      2   0.139196D+01  0.176761D+01  0.261725D+01 -0.349326D+01  0.235872D+01
      3   0.973056D+01 -0.195662D+00 -0.179010D+01 -0.292902D+01 -0.306018D+01
               216           217           218           219           220 
      1   0.379594D+00 -0.221547D+00 -0.691145D+00 -0.193255D+00  0.199790D+01
      2   0.105475D+02 -0.852102D+00 -0.178589D+01  0.541329D+00 -0.714531D+00
      3  -0.310959D+01  0.551802D+00  0.313430D+01  0.219380D+01 -0.667222D+01
               221           222           223           224           225 
      1   0.579927D+01 -0.334874D+00  0.161940D-01  0.226170D+01  0.490765D-02
      2   0.958533D+01  0.792836D+01  0.357799D+01  0.588918D+01  0.805284D+01
      3  -0.327603D+02 -0.125043D+02 -0.949767D+00 -0.928664D+01 -0.659930D+01
               226           227           228           229           230 
      1  -0.328981D+00  0.607606D+00 -0.851149D+00  0.238934D+01 -0.302254D+01
      2  -0.868153D-01 -0.143322D+01  0.406973D+01 -0.413071D+01  0.852343D+01
      3   0.138116D+01 -0.290264D+01  0.197928D+01 -0.772120D+01  0.730090D+01
               231           232           233           234           235 
      1   0.254951D+01 -0.257631D+01  0.451549D+01 -0.466599D+01  0.154757D+01
      2  -0.121634D+02  0.891298D+01 -0.713958D+01  0.245259D+02 -0.157734D+02
      3  -0.111179D+02  0.438264D+01 -0.994977D+01  0.101583D+02  0.258712D+01
               236           237           238           239           240 
      1   0.170606D+00 -0.113306D+01  0.908341D+00  0.352952D+00 -0.519294D+00
      2  -0.894591D+00  0.115385D+02 -0.443787D+00 -0.731739D+00 -0.871478D+00
      3  -0.661440D+01 -0.483427D+00 -0.272624D+01 -0.853141D+00  0.446909D+00
               241           242           243 
      1  -0.118026D+01  0.840069D+00  0.754313D+00
      2   0.982365D+01 -0.102763D+00 -0.936591D+01
      3  -0.288369D+00  0.374083D+01  0.920321D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.745055D+01  0.707979D+01 -0.633637D+01  0.304588D+01  0.344439D+01
      2  -0.135903D+01 -0.161654D+02 -0.827620D+01 -0.113449D+02 -0.137486D+02
      3  -0.609152D+01  0.908560D+01  0.146126D+02  0.829904D+01  0.103042D+02
      4   0.141145D+02 -0.878181D+01  0.221437D+02 -0.627336D+01  0.743094D+01
      5  -0.178714D+02  0.184451D+02 -0.831385D+01  0.181473D+02  0.290587D+01
      6   0.137750D+02 -0.152797D+02  0.771803D+01 -0.107183D+02 -0.638869D+01
                 6             7             8             9            10 
      1   0.201055D+02 -0.623362D+01  0.203075D+02  0.201326D+01  0.350940D+00
      2  -0.151918D+02 -0.955301D+01 -0.176384D+02  0.354098D+01  0.862438D+01
      3  -0.491366D+01  0.157866D+02 -0.266906D+01 -0.555424D+01 -0.897532D+01
      4  -0.669749D+01  0.230218D+02 -0.945253D+01  0.270136D+01 -0.155131D+02
      5   0.606563D+01 -0.782691D+01  0.848836D+01 -0.636927D+01  0.128767D+02
      6   0.321842D+01  0.674556D+01  0.186017D+01  0.218549D+01 -0.102611D+02
                11            12            13            14            15 
      1  -0.464388D+01  0.673149D+01 -0.840275D+01 -0.785227D+01 -0.202394D+02
      2   0.347387D+01  0.929305D-01  0.399306D+01  0.117175D+02  0.921598D+01
      3   0.117001D+01 -0.682442D+01  0.440969D+01 -0.386519D+01  0.110234D+02
      4   0.370733D+01 -0.181535D+02  0.740369D+01 -0.232987D+02 -0.773679D+01
      5  -0.156790D+02 -0.633940D+01 -0.175054D+02 -0.160111D+02 -0.281418D+00
      6   0.877181D+01 -0.141920D+01 -0.172058D+01  0.143267D+01 -0.614795D+01
                16            17            18            19            20 
      1   0.542212D+01 -0.189734D+02 -0.674512D+01  0.428497D+02  0.834623D+01
      2   0.718853D+01  0.112904D+02 -0.151138D+01 -0.432901D+02 -0.118451D+02
      3  -0.126107D+02  0.768297D+01  0.825650D+01  0.440405D+00  0.349887D+01
      4  -0.259207D+02 -0.268495D+01  0.955205D-01  0.316932D+00 -0.103243D+02
      5  -0.711332D+01 -0.144010D+00  0.365121D+01  0.566798D+01  0.277265D+01
      6  -0.182323D+01 -0.348815D+01 -0.240177D+00  0.729550D+01 -0.179020D+01
                21            22            23            24            25 
      1   0.287251D+01  0.185452D+02  0.457831D+01  0.541971D+01  0.193053D+01
      2  -0.195785D+01 -0.181577D+02 -0.113953D+02  0.167494D+01 -0.542638D+01
      3  -0.914664D+00 -0.387500D+00  0.681694D+01 -0.709466D+01  0.349585D+01
      4   0.401600D+01 -0.320665D+02 -0.426267D+01 -0.250868D+01  0.106619D+02
      5   0.489678D+01  0.215082D+01  0.251694D+01  0.364953D+01  0.430419D+01
      6   0.196919D+01  0.669393D+01  0.442701D+01  0.172471D+01  0.195588D+01
                26            27            28            29            30 
      1   0.813412D+01  0.163951D+02 -0.119996D+03 -0.633953D+01  0.562607D+01
      2  -0.225693D+01  0.652070D+01  0.883007D+02  0.455318D+01 -0.250149D+01
      3  -0.587719D+01 -0.229158D+02  0.316955D+02  0.178635D+01 -0.312458D+01
      4  -0.593767D+01  0.652680D+01  0.415808D+01 -0.100047D+02  0.176408D+01
      5   0.423107D+01  0.594851D+01 -0.703917D+01  0.161543D+01 -0.112320D+02
      6   0.509531D+00 -0.119586D+00 -0.133402D+02 -0.542090D+01  0.143910D+01
                31            32            33            34            35 
      1  -0.287273D+02 -0.227415D+02  0.657367D+01 -0.259272D+02  0.245342D+01
      2   0.242078D+02  0.221325D+02 -0.479359D+01  0.162413D+02 -0.310057D+01
      3   0.451946D+01  0.609014D+00 -0.178008D+01  0.968586D+01  0.647149D+00
      4  -0.257913D+01 -0.658917D+01  0.175420D+01 -0.172939D+01  0.582661D+00
      5  -0.712140D+00 -0.206846D+00 -0.208091D+01  0.814471D+00  0.159973D+01
      6  -0.328680D+01 -0.648988D+01  0.469132D+01 -0.134772D+01  0.622855D-01
                36            37            38            39            40 
      1  -0.311197D+01  0.146195D+03  0.105177D+02 -0.911057D+01  0.292253D+02
      2  -0.280153D+01 -0.104332D+03 -0.653767D+01  0.636120D+01 -0.149435D+02
      3   0.591349D+01 -0.418628D+02 -0.398004D+01  0.274937D+01 -0.142817D+02
      4   0.159626D+01 -0.359335D+01  0.161605D+02 -0.116633D+01  0.290589D+02
      5   0.259237D+01 -0.765450D+01 -0.237557D+01  0.199803D+02 -0.423955D+01
      6  -0.493480D+01  0.155558D+02  0.550339D+01 -0.293888D+01  0.113477D+02
                41            42            43            44            45 
      1   0.886131D+00  0.266453D+01  0.285909D+02  0.858065D+01  0.126459D+02
      2   0.426105D+01  0.302457D+01 -0.178300D+02 -0.348056D+01 -0.752646D+00
      3  -0.514718D+01 -0.568910D+01 -0.107609D+02 -0.510009D+01 -0.118933D+02
      4   0.604283D+01  0.368939D+01 -0.168601D+01  0.335964D+01 -0.635553D+01
      5   0.400244D+01 -0.468973D+01  0.249753D+02 -0.448766D+01 -0.856444D+01
      6   0.743277D+00  0.493195D+01 -0.235312D+01  0.312953D+01 -0.542969D+01
                46            47            48            49            50 
      1  -0.612300D+02 -0.489844D+01 -0.836373D+01  0.983264D+00 -0.270949D+01
      2   0.446047D+02 -0.186893D+01  0.152572D+01 -0.551415D+01  0.623201D+01
      3   0.166254D+02  0.676737D+01  0.683802D+01  0.453089D+01 -0.352252D+01
      4  -0.582560D+01 -0.158800D+02 -0.434671D+01  0.221664D+01  0.142462D+01
      5   0.101788D+01 -0.160321D+01 -0.151095D+02 -0.215441D+02  0.555056D+01
      6  -0.113539D+02 -0.238261D+01 -0.594967D+00  0.159274D+01 -0.444367D+01
                51            52            53            54            55 
      1  -0.773328D+01  0.439848D+02 -0.339360D+01 -0.146751D+02  0.276731D+02
      2   0.917492D+01 -0.422358D+02 -0.144938D+01  0.196342D+02 -0.162773D+02
      3  -0.144164D+01 -0.174901D+01  0.484298D+01 -0.495914D+01 -0.113958D+02
      4   0.692946D+01 -0.225883D+02  0.562292D+01  0.973658D+01 -0.661138D+01
      5   0.717097D+01 -0.564799D+02  0.502820D+01  0.438839D+02 -0.185743D+02
      6   0.394495D+01  0.115682D+02 -0.598690D+01 -0.661939D+01  0.176525D+01
                56            57            58            59            60 
      1  -0.266247D+01 -0.101859D+02 -0.213869D+02 -0.111611D+01  0.276648D+01
      2   0.258195D+01  0.698833D+01  0.137487D+02  0.135647D+01 -0.290161D+01
      3   0.805135D-01  0.319753D+01  0.763815D+01 -0.240363D+00  0.135131D+00
      4   0.119929D+02  0.487879D+01  0.214073D+02 -0.138546D+02 -0.204368D+02
      5   0.407576D+01  0.202194D+02  0.165535D+02 -0.201076D+02 -0.108987D+02
      6  -0.127263D+01 -0.137340D+01 -0.970665D+01  0.777199D+01  0.133032D+02
                61            62            63            64            65 
      1  -0.681528D+02 -0.372407D+01  0.649188D+00 -0.304215D+02  0.197240D+02
      2   0.530514D+02  0.259282D+01 -0.304218D+02  0.685567D+01 -0.414402D+01
      3   0.151014D+02  0.113126D+01  0.297726D+02  0.235658D+02 -0.155799D+02
      4   0.124507D+02 -0.156821D+02 -0.141267D+02  0.213346D+02 -0.642968D+01
      5   0.646462D+02 -0.857008D+01 -0.753227D+02 -0.150364D+02  0.219757D+02
      6  -0.101984D+02  0.143131D+02  0.855247D+01  0.786926D+01 -0.988663D+01
                66            67            68            69            70 
      1  -0.107461D+02  0.144660D+02  0.451306D+01  0.327975D+02 -0.200894D+02
      2  -0.117088D+01  0.127010D+01 -0.282182D+00 -0.240905D+02  0.892430D+00
      3   0.119169D+02 -0.157361D+02 -0.423088D+01 -0.870695D+01  0.191969D+02
      4   0.266441D+02 -0.109485D+02  0.704200D+01  0.121015D+02  0.318670D+02
      5   0.548051D+01  0.227504D+02  0.170537D+02 -0.121760D+02  0.259878D+01
      6  -0.802608D+01 -0.573459D+01 -0.105379D+02 -0.848374D+01 -0.656708D+01
                71            72            73            74            75 
      1   0.337344D+02  0.225796D+01 -0.495030D+02 -0.149127D+02 -0.130962D+02
      2  -0.242252D+02  0.123339D+01  0.213099D+02  0.815932D+01 -0.264171D+01
      3  -0.950916D+01 -0.349135D+01  0.281932D+02  0.675343D+01  0.157379D+02
      4   0.916366D+01 -0.526642D+01 -0.203518D+02  0.143058D+01 -0.301627D+01
      5  -0.893160D+01  0.732121D+01 -0.160153D+02 -0.346112D+01  0.885616D+01
      6  -0.882553D+01 -0.653655D+00 -0.282388D+01 -0.312516D+01  0.579795D+01
                76            77            78            79            80 
      1  -0.135312D+02  0.986857D+01 -0.355849D+01 -0.295924D+01 -0.236979D+01
      2   0.105421D+02 -0.482470D+01  0.100296D+02 -0.526533D+01  0.747886D+01
      3   0.298910D+01 -0.504387D+01 -0.647108D+01  0.822458D+01 -0.510907D+01
      4   0.102962D+02  0.241049D+02  0.133269D+02  0.374643D+00  0.599722D+01
      5  -0.523991D+01  0.203455D+02 -0.472500D+01  0.118971D+02 -0.554241D+01
      6   0.424381D+01  0.927674D+01  0.176132D+01  0.480297D+01 -0.365868D+00
                81            82            83            84            85 
      1   0.205692D+02 -0.930068D+01 -0.972589D+01 -0.875853D+01 -0.100166D+02
      2  -0.120629D+01  0.157642D+02  0.242026D+02  0.134739D+02  0.212398D+02
      3  -0.193629D+02 -0.646347D+01 -0.144767D+02 -0.471535D+01 -0.112231D+02
      4  -0.249310D+01  0.833395D+01  0.905686D+01  0.106465D+02  0.192825D+02
      5  -0.114379D+02  0.273240D+01  0.112674D+02 -0.143128D+02  0.116768D+02
      6  -0.831281D+01  0.200291D+01  0.129582D+02 -0.122614D+02  0.561797D+01
                86            87            88            89            90 
      1   0.117128D+02  0.918437D+01 -0.256915D+02  0.104830D+02 -0.852801D+01
      2  -0.124750D+02 -0.796799D+01  0.285263D+02 -0.858071D+01  0.483929D+01
      3   0.762205D+00 -0.121638D+01 -0.283480D+01 -0.190224D+01  0.368872D+01
      4   0.868014D+01  0.578581D+01  0.204492D+02  0.126002D+02 -0.974245D+01
      5  -0.838320D+00 -0.760659D+00 -0.191824D+02 -0.563234D+01  0.589449D+01
      6  -0.567847D+01 -0.320430D+01 -0.157037D+02 -0.529068D+01  0.729491D+01
                91            92            93            94            95 
      1  -0.169555D+02  0.685540D+01  0.380570D+02  0.168879D+02  0.112838D+02
      2   0.675414D+01 -0.157827D+01 -0.179574D+02 -0.144082D+02 -0.938919D+01
      3   0.102013D+02 -0.527713D+01 -0.200996D+02 -0.247972D+01 -0.189459D+01
      4   0.122857D+02  0.126106D+02  0.108218D+02 -0.435450D+01 -0.283292D+02
      5   0.433870D+02  0.990300D+01 -0.284746D+01  0.120851D+02 -0.264950D+02
      6   0.639173D+01  0.438260D+01  0.231661D+01 -0.349817D+01 -0.963010D+01
                96            97            98            99           100 
      1   0.978971D+01  0.540547D+02  0.897132D+01 -0.201736D+02  0.840997D+02
      2  -0.155386D+02 -0.254096D+02 -0.115834D+02  0.146092D+02 -0.419144D+02
      3   0.574889D+01 -0.286451D+02  0.261212D+01  0.556443D+01 -0.421854D+02
      4  -0.285339D+02  0.116045D+02 -0.218879D+02  0.106010D+02  0.323369D+02
      5   0.169336D+02 -0.237483D+02  0.108823D+02 -0.282243D+02  0.260865D+02
      6  -0.861546D+01  0.347772D+01 -0.472984D+01  0.566591D+01  0.694159D+01
               101           102           103           104           105 
      1   0.136403D+02  0.135164D+02  0.596083D+01  0.695852D+01  0.105898D+01
      2  -0.365523D+01 -0.870562D+01 -0.226395D+00  0.525125D+00 -0.104971D+01
      3  -0.998512D+01 -0.481080D+01 -0.573444D+01 -0.748365D+01 -0.926833D-02
      4   0.193832D+02  0.720203D+01  0.150267D+02  0.669519D+01  0.222965D+01
      5   0.606653D+01  0.156682D+02  0.303257D+01  0.173693D+01  0.193101D+01
      6   0.431801D+01  0.409697D+01  0.300503D+01  0.593082D+00  0.238305D+01
               106           107           108           109           110 
      1   0.248295D+01  0.835957D+00  0.512515D+01  0.142262D+01  0.452269D+01
      2  -0.264664D+01 -0.206320D+01 -0.529625D+01 -0.296373D+01 -0.280897D+01
      3   0.163688D+00  0.122724D+01  0.171096D+00  0.154111D+01 -0.171372D+01
      4   0.202489D+01 -0.469924D+00  0.452852D+01  0.191430D+01 -0.210773D+01
      5   0.114491D+02  0.356157D+01  0.688412D+01  0.309334D+01  0.990573D-01
      6   0.296111D+01  0.197161D+01  0.295452D+01  0.280832D+01 -0.273729D+01
               111           112           113           114           115 
      1   0.100958D+02  0.196977D+01 -0.635938D+01 -0.306951D+01  0.770711D+01
      2   0.475319D+00 -0.135242D+01  0.229200D+01  0.115038D+01 -0.439416D+01
      3  -0.105711D+02 -0.617348D+00  0.406738D+01  0.191913D+01 -0.331295D+01
      4   0.112645D+01  0.146472D+01  0.101510D+01  0.302468D+01  0.351866D+01
      5  -0.373976D+01  0.131251D+01  0.188851D+01  0.369463D+01  0.621191D+01
      6  -0.471421D+01 -0.674213D+00  0.393564D+01  0.899268D+01  0.103713D+01
               116           117           118           119           120 
      1  -0.558871D+01 -0.228396D+02  0.127693D+00 -0.101685D+00 -0.261258D+01
      2   0.847461D+00 -0.123339D+02 -0.402757D+01 -0.115633D+00 -0.544040D+00
      3   0.474125D+01  0.351734D+02  0.389987D+01  0.217318D+00  0.315662D+01
      4   0.760757D+01  0.670525D+01 -0.116978D+01  0.246972D+01 -0.618700D-01
      5   0.757599D+01  0.324890D+02  0.261058D-01  0.939485D+00  0.627340D+01
      6   0.966745D+01  0.190690D+02  0.614416D+00  0.390490D+00 -0.289583D+00
               121           122           123           124           125 
      1   0.745118D+00 -0.615722D+01 -0.408083D+01 -0.187870D+01 -0.116528D+01
      2  -0.573606D+00  0.229953D+01 -0.199784D+01  0.890998D+00 -0.228554D+01
      3  -0.171511D+00  0.385768D+01  0.607867D+01  0.987705D+00  0.345082D+01
      4   0.178265D+01 -0.178627D+01 -0.153975D+01 -0.243981D+00 -0.273848D+01
      5   0.143212D+01 -0.190302D+01 -0.239319D+01  0.591224D+01 -0.159548D+01
      6   0.195143D+00  0.122353D+01  0.611299D+01 -0.536162D+00  0.572241D+01
               126           127           128           129           130 
      1  -0.249074D+02 -0.681972D+01  0.186323D+02  0.235714D+01  0.983762D+01
      2  -0.128259D+02  0.866990D+01 -0.261993D+02 -0.318875D+01 -0.123633D+02
      3   0.377333D+02 -0.185018D+01  0.756705D+01  0.831613D+00  0.252565D+01
      4  -0.326143D+01 -0.441862D+01  0.163581D+01 -0.644014D+00  0.599884D+01
      5  -0.113788D+02  0.453971D+00 -0.119313D+01  0.125078D+01 -0.111509D+01
      6  -0.944815D+00  0.127465D+01 -0.266963D+01 -0.253095D+01 -0.120994D+01
               131           132           133           134           135 
      1  -0.347648D+02 -0.335663D+01  0.476042D+01 -0.961181D+01 -0.511911D+01
      2   0.534663D+02  0.481877D+01 -0.454308D+01  0.133711D+02  0.581178D+01
      3  -0.187015D+02 -0.146214D+01 -0.217341D+00 -0.375930D+01 -0.692675D+00
      4   0.998772D+01  0.998684D-01  0.655615D+00  0.242724D+01  0.252297D+01
      5   0.106183D+01  0.270394D+01  0.336156D+01  0.303361D+01  0.836922D+00
      6   0.445045D+01  0.798071D+01  0.521812D+00  0.960660D+01  0.365528D+01
               136           137           138           139           140 
      1   0.114302D+02  0.115329D+01 -0.213131D+01  0.316491D+01 -0.625879D+01
      2  -0.394580D+01  0.327998D+01 -0.670584D+00  0.316266D+00  0.118358D+02
      3  -0.748436D+01 -0.443326D+01  0.280189D+01 -0.348118D+01 -0.557698D+01
      4   0.170365D+02  0.150504D+02 -0.112544D+02  0.111711D+02  0.136469D+02
      5  -0.150914D+02 -0.947835D+01  0.159541D+02 -0.641304D+01 -0.929888D+01
      6  -0.947749D+01 -0.902558D+01  0.108630D+02 -0.716680D+01 -0.104991D+02
               141           142           143           144           145 
      1   0.253841D+01  0.357558D-01  0.645426D+01 -0.583844D+01 -0.676647D+01
      2  -0.434368D+01 -0.292991D+01 -0.881204D+01  0.929829D-01 -0.326194D+01
      3   0.180527D+01  0.289416D+01  0.235779D+01  0.574546D+01  0.100284D+02
      4  -0.980346D+01 -0.177690D+02 -0.168523D+02  0.153736D+02  0.653333D+01
      5   0.809485D+01  0.184071D+02  0.134551D+02 -0.228854D+02 -0.241193D+01
      6   0.100915D+02  0.141555D+02  0.167071D+02 -0.217428D+02 -0.339309D+01
               146           147           148           149           150 
      1  -0.379723D+01  0.109923D+02  0.869804D+00 -0.196388D+01 -0.560049D+01
      2   0.608634D+01  0.383622D+01  0.320890D+01 -0.508717D-01 -0.143961D+01
      3  -0.228911D+01 -0.148285D+02 -0.407870D+01  0.201475D+01  0.704010D+01
      4  -0.896875D+00 -0.589877D+01 -0.180333D+01  0.268851D+01  0.152544D+01
      5  -0.119743D+01  0.124060D+01 -0.590805D+00 -0.545847D+00  0.246582D+01
      6  -0.232405D+01  0.582701D+01 -0.133540D+01  0.250906D+01  0.854472D+00
               151           152           153           154           155 
      1   0.836934D+01 -0.643503D+00 -0.163004D+02  0.163881D+02 -0.164171D+01
      2   0.374916D+01 -0.220903D+01 -0.782965D+01 -0.811432D+01 -0.348855D+01
      3  -0.121185D+02  0.285253D+01  0.241301D+02 -0.827381D+01  0.513027D+01
      4  -0.785270D+01  0.282197D+01  0.459133D+01 -0.275009D+02  0.223407D+02
      5   0.403152D+01 -0.126482D+01  0.391181D+01  0.244991D+02 -0.143518D+02
      6   0.275165D+01  0.458827D+01 -0.908936D+01 -0.132371D+02  0.135240D+02
               156           157           158           159           160 
      1   0.220032D+01 -0.179361D+01 -0.338045D+01  0.151284D+01  0.409912D+01
      2  -0.391088D+01 -0.168893D+01  0.938177D+01 -0.163695D+01 -0.409836D+01
      3   0.171055D+01  0.348254D+01 -0.600132D+01  0.124109D+00 -0.762027D-03
      4  -0.164305D+02  0.157118D+02 -0.167663D+02  0.103850D+02 -0.140271D+02
      5   0.208990D+02 -0.933206D+01  0.923086D+01 -0.840951D+01  0.169358D+02
      6  -0.135952D+02  0.916360D+01 -0.110927D+02  0.100579D+02 -0.102729D+02
               161           162           163           164           165 
      1   0.160253D+01 -0.250839D+01 -0.646739D+01 -0.116295D+02  0.346733D-01
      2  -0.843752D+00 -0.462742D+01  0.823280D+01  0.173540D+02  0.337465D+01
      3  -0.758777D+00  0.713581D+01 -0.176540D+01 -0.572458D+01 -0.340933D+01
      4   0.112769D+02 -0.126037D+02  0.234053D+01  0.321177D+01 -0.991394D+00
      5  -0.110482D+02  0.184577D+02 -0.747097D+00 -0.405893D+01  0.219317D-01
      6   0.114928D+02 -0.144635D+02 -0.638639D+00 -0.166156D+00  0.281040D+01
               166           167           168           169           170 
      1  -0.691071D+01 -0.238709D+02 -0.292903D+01 -0.286388D+01 -0.110275D+02
      2   0.102308D+02  0.397403D+02  0.723449D+01  0.452348D+01  0.171524D+02
      3  -0.332011D+01 -0.158694D+02 -0.430546D+01 -0.165960D+01 -0.612484D+01
      4   0.548266D+01 -0.843744D+01  0.476810D+00  0.747922D+00 -0.396311D+01
      5  -0.414133D+01 -0.464634D+01 -0.417384D+01  0.218441D+00 -0.362042D+01
      6   0.757491D+00 -0.213868D+01  0.666144D+01  0.103422D+01  0.480116D+01
               171           172           173           174           175 
      1  -0.433523D+01  0.174965D+02  0.441638D+01 -0.797130D+01  0.142929D+02
      2   0.547490D+01 -0.120337D+02 -0.515458D+01  0.941435D+01 -0.121558D+02
      3  -0.113967D+01 -0.546277D+01  0.738201D+00 -0.144305D+01 -0.213710D+01
      4  -0.909435D+00  0.270689D+01  0.706925D+01 -0.610234D+01  0.693918D+01
      5  -0.285124D+01 -0.130083D+02 -0.844268D+01  0.136440D+02 -0.162665D+02
      6   0.542609D+01 -0.170561D+01 -0.811935D+00  0.108748D+01 -0.958824D+00
               176           177           178           179           180 
      1   0.376938D+01 -0.866896D+01 -0.100959D+02 -0.615008D+01  0.515119D+01
      2  -0.577172D+01  0.133481D+02  0.125241D+02  0.987846D+01 -0.169381D+02
      3   0.200234D+01 -0.467910D+01 -0.242812D+01 -0.372838D+01  0.117869D+02
      4   0.160592D+02 -0.979276D+01 -0.611118D+01 -0.110081D+02  0.792416D+01
      5  -0.118544D+02  0.195708D+02  0.191092D+02  0.111687D+02 -0.290809D+02
      6  -0.525924D+01  0.395112D+01  0.781270D+00  0.595751D+01 -0.948667D+00
               181           182           183           184           185 
      1  -0.350929D+01 -0.126198D+02 -0.725737D+01 -0.987192D+01 -0.202567D+02
      2   0.308243D+01  0.923446D+01  0.281319D+01  0.422831D+01  0.209813D+02
      3   0.426869D+00  0.338534D+01  0.444418D+01  0.564361D+01 -0.724627D+00
      4  -0.913364D+00 -0.381025D+01 -0.455820D+01  0.723708D+01 -0.239768D+02
      5   0.218857D+01 -0.362265D+01 -0.396797D+01  0.256354D+01 -0.131627D+02
      6   0.201496D+01  0.757431D+01  0.679858D+01 -0.206284D+00  0.202382D+02
               186           187           188           189           190 
      1  -0.148149D+02 -0.403012D+01 -0.151784D+02 -0.132929D+02  0.694557D+02
      2   0.857354D+01  0.269054D+01  0.916004D+01  0.230684D+01 -0.272070D+02
      3   0.624132D+01  0.133958D+01  0.601840D+01  0.109861D+02 -0.422487D+02
      4  -0.133763D+02  0.381396D+00 -0.132967D+02 -0.964555D+01 -0.380048D+02
      5  -0.114432D+02  0.446164D+01 -0.957288D+01 -0.151970D+02  0.200598D+01
      6   0.163639D+02  0.508013D+00  0.155189D+02  0.152647D+02 -0.119284D+01
               191           192           193           194           195 
      1  -0.198545D+02  0.972640D+01 -0.198485D+02  0.983795D+01 -0.504468D+01
      2   0.307833D+01 -0.167233D+01  0.262981D+01  0.144387D+01  0.118772D+01
      3   0.167762D+02 -0.805406D+01  0.172187D+02 -0.112818D+02  0.385695D+01
      4   0.227117D+02 -0.665489D+01  0.243636D+02 -0.188133D+02  0.246332D+01
      5  -0.237696D+01  0.114930D+02 -0.175019D+01 -0.202560D+00 -0.361349D+01
      6   0.121928D+00 -0.320112D+01 -0.531762D-01  0.107156D+01  0.402954D+01
               196           197           198           199           200 
      1   0.275955D+02 -0.946526D+01  0.843235D+01 -0.547920D-01 -0.832915D+00
      2  -0.896992D+01  0.156208D+01 -0.352463D+01  0.129862D+01  0.546166D+00
      3  -0.186256D+02  0.790318D+01 -0.490772D+01 -0.124383D+01  0.286749D+00
      4  -0.183793D+02  0.110100D+02 -0.594271D+01  0.381854D+00  0.112699D+01
      5   0.987651D+01 -0.359450D+01  0.922487D+01 -0.926499D+00  0.454629D+00
      6  -0.301917D+01  0.319131D+01 -0.366609D+01  0.101886D+01 -0.341730D-01
               201           202           203           204           205 
      1  -0.122478D+01 -0.257427D+01 -0.143805D+01 -0.435435D+01 -0.680921D+01
      2   0.951752D+00 -0.142623D+01  0.928540D+00  0.231895D+01  0.350998D+01
      3   0.273024D+00  0.400050D+01  0.509507D+00  0.203540D+01  0.329923D+01
      4   0.841473D+00  0.298980D+00 -0.130673D+01 -0.186828D+01  0.989428D+00
      5   0.139780D+01  0.449898D+00 -0.113298D+01 -0.562879D+00  0.123560D+01
      6   0.151428D+00 -0.109791D+01  0.324709D+01  0.326615D+01  0.996445D+00
               206           207           208           209           210 
      1  -0.575441D+01 -0.123091D+02  0.296127D+01  0.214720D+01  0.539072D+01
      2   0.413553D+01  0.181082D+01 -0.364578D+01 -0.119324D+01 -0.201635D+01
      3   0.161888D+01  0.104983D+02  0.684510D+00 -0.953965D+00 -0.337437D+01
      4  -0.124101D+01 -0.235894D+01  0.259942D+01  0.127016D+01  0.147786D+01
      5  -0.155857D+01 -0.427128D+01  0.514304D+01  0.165229D+01  0.450740D+01
      6   0.498839D+01  0.691801D+01  0.169113D+01 -0.175022D+00  0.499265D+00
               211           212           213           214           215 
      1   0.264663D+01 -0.379283D+01 -0.371420D+01  0.286578D+01 -0.417014D+01
      2  -0.416185D+01  0.505942D+00 -0.170308D+01 -0.422991D+01 -0.286637D+00
      3   0.151522D+01  0.328688D+01  0.541728D+01  0.136413D+01  0.445678D+01
      4  -0.215819D+01  0.154881D+01  0.226340D+01  0.326845D+01  0.377962D+01
      5   0.468786D+01  0.307278D+01  0.630513D+01  0.832562D+01  0.507939D+01
      6  -0.143365D+01  0.273523D+01  0.415501D+01  0.221935D+01  0.642144D+01
               216           217           218           219           220 
      1  -0.190622D+02  0.299237D+01  0.788858D+01 -0.122623D-01  0.213118D+02
      2  -0.826076D+01 -0.375190D+00 -0.542896D+01 -0.197353D+00 -0.634508D+01
      3   0.273229D+02 -0.261718D+01 -0.245962D+01  0.209616D+00 -0.149667D+02
      4   0.385893D+01  0.294936D+01 -0.130022D+00 -0.146398D+01  0.215291D+02
      5   0.213293D+02 -0.224396D+01 -0.789700D+00  0.617289D-01  0.919311D+01
      6   0.569408D+01  0.188424D+01 -0.126338D+01 -0.152930D+01  0.488097D+01
               221           222           223           224           225 
      1  -0.840733D+01 -0.335019D+01  0.715454D+01 -0.358314D+01  0.160933D+01
      2   0.206383D+02  0.442654D+01 -0.399806D+01  0.308813D+01 -0.201155D+01
      3  -0.122309D+02 -0.107635D+01 -0.315648D+01  0.495006D+00  0.402214D+00
      4   0.578213D+02  0.215090D+02  0.438106D+01  0.170760D+02  0.113518D+02
      5   0.200156D+02  0.157325D+02  0.137432D+02  0.115396D+02  0.183384D+02
      6   0.169791D+02  0.116407D+02  0.210475D+01  0.976402D+01  0.648718D+01
               226           227           228           229           230 
      1   0.159780D+02 -0.622451D+01  0.640652D+01 -0.197195D+02  0.207810D+01
      2  -0.110295D+02  0.390905D+01 -0.521817D+01  0.128702D+02 -0.180795D+01
      3  -0.494856D+01  0.231547D+01 -0.118835D+01  0.684927D+01 -0.270155D+00
      4  -0.675636D+01  0.420496D+01 -0.517719D+01  0.132759D+02 -0.142817D+02
      5   0.829531D+01 -0.588226D+01  0.113241D+02 -0.165354D+02  0.184077D+02
      6  -0.268972D+01  0.576840D+00 -0.701524D+00  0.460065D+01 -0.594811D+01
               231           232           233           234           235 
      1  -0.538407D+01  0.234313D+02 -0.414624D-01  0.974705D+01  0.948793D+02
      2   0.971865D+01 -0.178622D+02  0.502054D+01 -0.215160D+02 -0.450830D+02
      3  -0.433458D+01 -0.556908D+01 -0.497907D+01  0.117690D+02 -0.497963D+02
      4   0.196034D+02 -0.486212D+01  0.194879D+02 -0.158529D+02  0.673195D+01
      5  -0.258336D+02  0.331647D+02 -0.145834D+02  0.545857D+02 -0.177954D+02
      6   0.869258D+01 -0.280932D+01  0.722063D+01 -0.647401D+01 -0.278995D+01
               236           237           238           239           240 
      1   0.218177D+01 -0.221228D+02 -0.478004D+01  0.841596D+01 -0.576962D+00
      2   0.114113D+00  0.928321D+01  0.339695D+01 -0.254732D+01  0.886484D+00
      3  -0.229589D+01  0.128396D+02  0.138309D+01 -0.586863D+01 -0.309522D+00
      4   0.135160D+02 -0.254609D+01  0.132805D+02  0.293027D+01 -0.181523D+01
      5  -0.165779D+01  0.173959D+02 -0.650004D+00 -0.138354D+01 -0.227625D+01
      6   0.243447D+00  0.180073D+01 -0.239514D+00  0.568432D+00  0.234420D+01
               241           242           243 
      1  -0.497921D+02 -0.278073D+01  0.186826D+02
      2   0.235652D+02  0.117333D+01 -0.104856D+02
      3   0.262269D+02  0.160740D+01 -0.819701D+01
      4  -0.522745D+01 -0.759864D+01  0.444866D+00
      5   0.217154D+02 -0.816768D-01 -0.167079D+02
      6   0.242486D+01  0.177701D+01 -0.243176D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.701090D+00      0.178199D+01      0.594408D+01
   y         -0.270005D+00     -0.686284D+00     -0.228920D+01
   z         -0.990123D+00     -0.251664D+01     -0.839461D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.161281D+03      0.238994D+02      0.265917D+02
   yx         0.503065D+01      0.745465D+00      0.829442D+00
   yy         0.104214D+03      0.154429D+02      0.171826D+02
   zx         0.311106D+01      0.461011D+00      0.512944D+00
   zy         0.314748D+01      0.466409D+00      0.518950D+00
   zz         0.108319D+03      0.160512D+02      0.178593D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132777D+03      0.196755D+02      0.218920D+02
   aniso      0.616916D+02      0.914175D+01      0.101716D+02
   xx         0.173045D+03      0.256426D+02      0.285312D+02
   yx         0.541562D+01      0.802512D+00      0.892915D+00
   yy         0.110584D+03      0.163869D+02      0.182329D+02
   zx         0.305830D+01      0.453194D+00      0.504246D+00
   zy         0.309643D+01      0.458843D+00      0.510532D+00
   zz         0.114702D+03      0.169971D+02      0.189119D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.31057103          3.01161153          0.66057137
     6          3.15169930          0.55898889          2.14372613
     6          0.72104114         -1.14537824          1.74743911
     6         -0.68428646         -0.66406633         -0.61938830
     6         -3.12615275         -0.05670664         -0.78313223
     6         -4.36984297          0.40207931         -3.25359649
     8         -3.24387892          0.25109352         -5.25017365
     6          3.56167641          1.04759525          4.95289864
     6          4.78450642         -1.68090019          1.17765614
     6          2.51877902         -3.47451589          1.57415738
     6         -7.14405281          1.07839203         -3.15095843
     1          6.50932251         -2.08450686          2.23064673
     1          5.27022703         -1.47234985         -0.81429324
     1         -0.56889375         -1.13080403          3.35615870
     1          2.11116318         -4.81747347          0.06885585
     1          2.60760481         -4.49976335          3.35605105
     1          3.06113845          2.71024006         -1.36204028
     1          5.15563423          3.89572492          0.94486153
     1          1.86577704          4.35030898          1.28110987
     1          3.45799868         -0.69393072          6.05435274
     1          2.13541212          2.34845247          5.68609534
     1          5.41947208          1.88970801          5.27572033
     1          0.34910321         -0.81935343         -2.38810818
     1         -4.27243619          0.11992801          0.90831120
     1         -7.41615038          2.78555199         -2.01913147
     1         -8.20768111         -0.43132452         -2.22423329
     1         -7.87028210          1.37824008         -5.04921726

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124289D+01      0.315911D+01      0.105377D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124289D+01      0.315911D+01      0.105377D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124605D+03      0.184645D+02      0.205445D+02
   aniso      0.563378D+02      0.834841D+01      0.928885D+01
   xx         0.147859D+03      0.219104D+02      0.243786D+02
   yx        -0.800009D+01     -0.118549D+01     -0.131904D+01
   yy         0.103918D+03      0.153990D+02      0.171337D+02
   zx         0.223331D+02      0.330942D+01      0.368222D+01
   zy        -0.275125D+01     -0.407694D+00     -0.453620D+00
   zz         0.122037D+03      0.180841D+02      0.201213D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.132777D+03      0.196755D+02      0.218920D+02
   aniso      0.616916D+02      0.914175D+01      0.101716D+02
   xx         0.157876D+03      0.233948D+02      0.260302D+02
   yx        -0.859149D+01     -0.127313D+01     -0.141655D+01
   yy         0.110388D+03      0.163578D+02      0.182005D+02
   zx         0.248032D+02      0.367545D+01      0.408949D+01
   zy        -0.321341D+01     -0.476178D+00     -0.529820D+00
   zz         0.130068D+03      0.192740D+02      0.214453D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U25-33\Freq\RLC-PBEPBE\Gen\C10H16O1\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=03000000
 00,3/108=0300000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
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 I WANT IT ALL - RICH, THIN, AND CHOCOLATE.
 Job cpu time:       0 days  9 hours 24 minutes 28.8 seconds.
 Elapsed time:       0 days  1 hours 10 minutes 46.5 seconds.
 File lengths (MBytes):  RWF=    454 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 22:32:54 2021.
